smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N1CCO[C@H](CN2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000118398165 543651467 /nfs/dbraw/zinc/65/14/67/543651467.db2.gz DRSVLWYOEAVHFD-GHTZIAJQSA-N 0 3 356.514 2.346 10 30 FEEEHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000150786371 544471833 /nfs/dbraw/zinc/47/18/33/544471833.db2.gz WLPQWPCMYWPMHI-YOEHRIQHSA-N 0 3 372.469 2.129 10 30 FEEEHN CN(CC(=O)OC(C)(C)C)C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000191980741 328291606 /nfs/dbraw/zinc/29/16/06/328291606.db2.gz VYUMCVHTQIFQIV-IBGZPJMESA-N 0 3 373.497 2.330 10 30 FEEEHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000192475161 328321124 /nfs/dbraw/zinc/32/11/24/328321124.db2.gz STZPGQSBNSMOTB-YOEHRIQHSA-N 0 3 354.406 2.420 10 30 FEEEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000192938482 328347641 /nfs/dbraw/zinc/34/76/41/328347641.db2.gz ZOGWWUCHKPHQGE-GOSISDBHSA-N 0 3 370.478 2.096 10 30 FEEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)C(C)C ZINC000173927817 546288381 /nfs/dbraw/zinc/28/83/81/546288381.db2.gz GAOFUEIYNDMWDH-ZWKOTPCHSA-N 0 3 360.506 2.323 10 30 FEEEHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246515451 549151004 /nfs/dbraw/zinc/15/10/04/549151004.db2.gz TVJTYRUZFOAZCF-CRAIPNDOSA-N 0 3 359.470 2.425 10 30 FEEEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000249109362 549553629 /nfs/dbraw/zinc/55/36/29/549553629.db2.gz AKTFYSFESOYKRP-OAGGEKHMSA-N 0 3 370.453 2.001 10 30 FEEEHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000112550675 543451366 /nfs/dbraw/zinc/45/13/66/543451366.db2.gz AENHURADHGUKKK-HUUCEWRRSA-N 0 3 373.526 2.410 10 30 FEEEHN C=CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000119830687 543672443 /nfs/dbraw/zinc/67/24/43/543672443.db2.gz LLQBMZNOWIANQZ-FQEVSTJZSA-N 0 3 366.461 2.400 10 30 FEEEHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000150798893 544473454 /nfs/dbraw/zinc/47/34/54/544473454.db2.gz TVJTYRUZFOAZCF-QAPCUYQASA-N 0 3 359.470 2.425 10 30 FEEEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119062741 326123090 /nfs/dbraw/zinc/12/30/90/326123090.db2.gz OCGJAPNTJGDRKU-KRWDZBQOSA-N 0 3 372.469 2.227 10 30 FEEEHN CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN3CCC[C@@H]3C2)ccc1OC ZINC000172271889 546244158 /nfs/dbraw/zinc/24/41/58/546244158.db2.gz NESMFBXRULMOPJ-IAGOWNOFSA-N 0 3 372.469 2.366 10 30 FEEEHN C#CCN1CCC(C(=O)N[C@@H](CC(=O)OCC)c2ccccc2C)CC1 ZINC000173818428 546287251 /nfs/dbraw/zinc/28/72/51/546287251.db2.gz PSUCLIUAYBFILL-IBGZPJMESA-N 0 3 356.466 2.451 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000176790118 546488415 /nfs/dbraw/zinc/48/84/15/546488415.db2.gz XQSYOKCZBOTHDR-UONOGXRCSA-N 0 3 370.482 2.045 10 30 FEEEHN C#CCCOc1ccc(CN[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177317228 546592861 /nfs/dbraw/zinc/59/28/61/546592861.db2.gz WJKGQWYIFUKUJS-UXHICEINSA-N 0 3 370.405 2.181 10 30 FEEEHN C=C(C)CS(=O)(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000189702174 548308123 /nfs/dbraw/zinc/30/81/23/548308123.db2.gz LXLPHGYCBHOQDZ-IBGZPJMESA-N 0 3 366.527 2.270 10 30 FEEEHN C#CCN1CCC(C(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)CC1 ZINC000190514133 548326649 /nfs/dbraw/zinc/32/66/49/548326649.db2.gz YSEBRGLRKLOWQD-KRWDZBQOSA-N 0 3 374.554 2.077 10 30 FEEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000246315431 549103546 /nfs/dbraw/zinc/10/35/46/549103546.db2.gz FFKMVRKGOLKVRG-CRAIPNDOSA-N 0 3 372.469 2.153 10 30 FEEEHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109184252 670837937 /nfs/dbraw/zinc/83/79/37/670837937.db2.gz YKPAMIHQWKFVSW-HZSPNIEDSA-N 0 3 350.365 2.320 10 30 FEEEHN C=CCn1c(C)nn(CN2CCN(CCOCC)[C@H](CC)C2)c1=S ZINC000152606530 672184862 /nfs/dbraw/zinc/18/48/62/672184862.db2.gz KWRAVIJXGGTJLG-MRXNPFEDSA-N 0 3 353.536 2.299 10 30 FEEEHN CN(C)C[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000108951996 543309141 /nfs/dbraw/zinc/30/91/41/543309141.db2.gz DSUAHCLSNCTWTK-CQSZACIVSA-N 0 3 362.380 2.475 10 30 FEEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000112550671 543451549 /nfs/dbraw/zinc/45/15/49/543451549.db2.gz AENHURADHGUKKK-LSDHHAIUSA-N 0 3 373.526 2.410 10 30 FEEEHN CN(C)Cc1ccc(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)nc1 ZINC000114413991 543514656 /nfs/dbraw/zinc/51/46/56/543514656.db2.gz IVZIQRPWPSYTOK-UHFFFAOYSA-N 0 3 355.486 2.266 10 30 FEEEHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000150786350 544471869 /nfs/dbraw/zinc/47/18/69/544471869.db2.gz WLPQWPCMYWPMHI-PBHICJAKSA-N 0 3 372.469 2.129 10 30 FEEEHN CC(C)Oc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cc1C#N ZINC000157751283 326874012 /nfs/dbraw/zinc/87/40/12/326874012.db2.gz HRKOENPNKMQJAL-KRWDZBQOSA-N 0 3 360.458 2.314 10 30 FEEEHN N#Cc1c[nH]c(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000176516673 327460702 /nfs/dbraw/zinc/46/07/02/327460702.db2.gz UEAHCHJDYCMRQW-IBGZPJMESA-N 0 3 352.438 2.062 10 30 FEEEHN CN(C)C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000171134813 546191621 /nfs/dbraw/zinc/19/16/21/546191621.db2.gz AVZZDDDLZWEUPM-LJQANCHMSA-N 0 3 374.448 2.359 10 30 FEEEHN C=CCc1ccc(OC[C@@H](O)CN2CCN3CCCC[C@@H]3C2)c(OC)c1 ZINC000177756549 546681057 /nfs/dbraw/zinc/68/10/57/546681057.db2.gz CJVMXNSMJKWMQX-MOPGFXCFSA-N 0 3 360.498 2.334 10 30 FEEEHN CC[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1C[C@H](C)O ZINC000246045175 549040837 /nfs/dbraw/zinc/04/08/37/549040837.db2.gz XNYHMSDSCQMUBW-JXFKEZNVSA-N 0 3 367.497 2.236 10 30 FEEEHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000247146876 549290805 /nfs/dbraw/zinc/29/08/05/549290805.db2.gz TYWXXEIKUDUYCT-GJZGRUSLSA-N 0 3 372.494 2.183 10 30 FEEEHN C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)c1 ZINC000249127514 549557498 /nfs/dbraw/zinc/55/74/98/549557498.db2.gz CNSLONOXIJITCI-SJORKVTESA-N 0 3 357.454 2.275 10 30 FEEEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249153543 549561362 /nfs/dbraw/zinc/56/13/62/549561362.db2.gz HWBHOGYULCVBLP-RDJZCZTQSA-N 0 3 370.453 2.003 10 30 FEEEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000253549667 549693734 /nfs/dbraw/zinc/69/37/34/549693734.db2.gz VBUXXHAKCORPNN-CVEARBPZSA-N 0 3 356.470 2.294 10 30 FEEEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000253549667 549693737 /nfs/dbraw/zinc/69/37/37/549693737.db2.gz VBUXXHAKCORPNN-CVEARBPZSA-N 0 3 356.470 2.294 10 30 FEEEHN CCOc1c(Br)cc(C=NNC(=N)N)cc1Br ZINC000036511844 205016525 /nfs/dbraw/zinc/01/65/25/205016525.db2.gz DSDJPIILKAAYHR-WCSRMQSCSA-N 0 3 364.041 2.427 10 30 FEEEHN COC(=O)Cn1ncc(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O ZINC000005447507 206196556 /nfs/dbraw/zinc/19/65/56/206196556.db2.gz ARNOPVZJYLSHDW-VIFPVBQESA-N 0 3 374.809 2.335 10 30 FEEEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000174085635 546291508 /nfs/dbraw/zinc/29/15/08/546291508.db2.gz IZKFVKQFVPPLSA-HOTGVXAUSA-N 0 3 366.469 2.080 10 30 FEEEHN C#CCCOc1ccc(CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177317181 546593549 /nfs/dbraw/zinc/59/35/49/546593549.db2.gz WJKGQWYIFUKUJS-VQTJNVASSA-N 0 3 370.405 2.181 10 30 FEEEHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177684694 546666225 /nfs/dbraw/zinc/66/62/25/546666225.db2.gz OLCOIZWUIWVFGM-LSDHHAIUSA-N 0 3 372.494 2.326 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000185686178 548020286 /nfs/dbraw/zinc/02/02/86/548020286.db2.gz GUKZKWUBPPANRS-ROUUACIJSA-N 0 3 365.518 2.300 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC000187800375 548263906 /nfs/dbraw/zinc/26/39/06/548263906.db2.gz ADGSTXOPFZBIRS-DZGCQCFKSA-N 0 3 355.454 2.101 10 30 FEEEHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000109036101 543311735 /nfs/dbraw/zinc/31/17/35/543311735.db2.gz JQGJJLNCLBZBDH-UONOGXRCSA-N 0 3 360.483 2.182 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000112551961 543451856 /nfs/dbraw/zinc/45/18/56/543451856.db2.gz ZZWNLAOFMJMIRP-XJKSGUPXSA-N 0 3 352.442 2.205 10 30 FEEEHN C=CCCS(=O)(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000125729611 543898095 /nfs/dbraw/zinc/89/80/95/543898095.db2.gz XMXSRLUPYKTBAM-LJQANCHMSA-N 0 3 366.527 2.270 10 30 FEEEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000192938467 328347610 /nfs/dbraw/zinc/34/76/10/328347610.db2.gz ZOGWWUCHKPHQGE-SFHVURJKSA-N 0 3 370.478 2.096 10 30 FEEEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193415123 328373919 /nfs/dbraw/zinc/37/39/19/328373919.db2.gz OMRWEYZCTNGDOX-HZPDHXFCSA-N 0 3 371.485 2.138 10 30 FEEEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000170845607 546179986 /nfs/dbraw/zinc/17/99/86/546179986.db2.gz KCPFMXHJCRAYBM-HXUWFJFHSA-N 0 3 361.445 2.187 10 30 FEEEHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246211549 549079138 /nfs/dbraw/zinc/07/91/38/549079138.db2.gz ZJEHVRQRLMLGAR-ZWKOTPCHSA-N 0 3 352.438 2.127 10 30 FEEEHN C=C(Br)CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190702046 672646701 /nfs/dbraw/zinc/64/67/01/672646701.db2.gz IBCDAZSOSCPSRG-OAHLLOKOSA-N 0 3 367.291 2.454 10 30 FEEEHN C#CCCOc1ccc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526443 542593621 /nfs/dbraw/zinc/59/36/21/542593621.db2.gz CXGFXKKJTLJUBH-IBGZPJMESA-N 0 3 366.465 2.416 10 30 FEEEHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000109036105 543311774 /nfs/dbraw/zinc/31/17/74/543311774.db2.gz JQGJJLNCLBZBDH-ZIAGYGMSSA-N 0 3 360.483 2.182 10 30 FEEEHN CCc1nc2n(n1)C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000180175178 327674827 /nfs/dbraw/zinc/67/48/27/327674827.db2.gz WJHVXAMFWOGISG-KRWDZBQOSA-N 0 3 361.453 2.217 10 30 FEEEHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171644067 327150798 /nfs/dbraw/zinc/15/07/98/327150798.db2.gz ZJEHVRQRLMLGAR-ROUUACIJSA-N 0 3 352.438 2.127 10 30 FEEEHN CCc1nccn1[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561792 549357901 /nfs/dbraw/zinc/35/79/01/549357901.db2.gz GDUZWOLIGDLEPW-ZWKOTPCHSA-N 0 3 354.454 2.394 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@H](N[C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000176790132 546488528 /nfs/dbraw/zinc/48/85/28/546488528.db2.gz XQSYOKCZBOTHDR-KGLIPLIRSA-N 0 3 370.482 2.045 10 30 FEEEHN N#Cc1ccc(OC2CCC(NC(=O)N3CCN4CCC[C@@H]4C3)CC2)nc1 ZINC000179578603 546980672 /nfs/dbraw/zinc/98/06/72/546980672.db2.gz LVDVTNRGQFQRNS-LXPRWKDFSA-N 0 3 369.469 2.133 10 30 FEEEHN C=CCC[C@H](CN(C)CCN(C)C)Oc1ccc(-n2ccnc2C)nn1 ZINC000072477489 541820515 /nfs/dbraw/zinc/82/05/15/541820515.db2.gz NQBHGBOFWLZBMM-QGZVFWFLSA-N 0 3 358.490 2.178 10 30 FEEEHN CCOc1c(Br)cc(C=NNC(=N)N)cc1Br ZINC000007895084 204309734 /nfs/dbraw/zinc/30/97/34/204309734.db2.gz DSDJPIILKAAYHR-PJQLUOCWSA-N 0 3 364.041 2.427 10 30 FEEEHN COc1ccccc1-c1c(C#N)c(SCC(N)=O)nc2c1CN(C)CC2 ZINC000040569993 205072950 /nfs/dbraw/zinc/07/29/50/205072950.db2.gz HKUBWZGLCOIGTJ-UHFFFAOYSA-N 0 3 368.462 2.194 10 30 FEEEHN COCCN1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106108367 543199667 /nfs/dbraw/zinc/19/96/67/543199667.db2.gz AIVPBXYHVUSNNF-AWEZNQCLSA-N 0 3 364.877 2.193 10 30 FEEEHN CN(c1cccnn1)C1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000106085603 543193084 /nfs/dbraw/zinc/19/30/84/543193084.db2.gz YHZRJRXKCVVKBY-UHFFFAOYSA-N 0 3 364.453 2.278 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000112551876 543451932 /nfs/dbraw/zinc/45/19/32/543451932.db2.gz VNRQKTSYDVJOQT-LSDHHAIUSA-N 0 3 358.490 2.037 10 30 FEEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@H](CN(C)C)C2)c1 ZINC000155313974 545509740 /nfs/dbraw/zinc/50/97/40/545509740.db2.gz FYAVUENSSZWUGR-AZUAARDMSA-N 0 3 372.513 2.201 10 30 FEEEHN C[C@@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000159912501 545991932 /nfs/dbraw/zinc/99/19/32/545991932.db2.gz MVQJSGMLTIYOLH-HUUCEWRRSA-N 0 3 356.388 2.324 10 30 FEEEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)CSCC#N ZINC000177467465 546625415 /nfs/dbraw/zinc/62/54/15/546625415.db2.gz KQUBCARBHQGCBT-GOSISDBHSA-N 0 3 361.511 2.147 10 30 FEEEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000248545214 549454700 /nfs/dbraw/zinc/45/47/00/549454700.db2.gz JBCJXRUMOZJDTO-KGLIPLIRSA-N 0 3 353.875 2.459 10 30 FEEEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248680868 549483439 /nfs/dbraw/zinc/48/34/39/549483439.db2.gz OMRWEYZCTNGDOX-CVEARBPZSA-N 0 3 371.485 2.138 10 30 FEEEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249201493 549567823 /nfs/dbraw/zinc/56/78/23/549567823.db2.gz QZLOGYAFIQGSJG-GJZGRUSLSA-N 0 3 360.845 2.235 10 30 FEEEHN COc1cc(C#N)ccc1OCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000053373031 540529972 /nfs/dbraw/zinc/52/99/72/540529972.db2.gz GLIYFQJGUOWAPL-QGZVFWFLSA-N 0 3 353.422 2.365 10 30 FEEEHN CCN1CCC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066621811 541348579 /nfs/dbraw/zinc/34/85/79/541348579.db2.gz HKXVUVIRDGKAHS-KRWDZBQOSA-N 0 3 356.470 2.314 10 30 FEEEHN N#Cc1ccccc1Cn1c(=O)c2ccsc2nc1N1CCC[C@@H](N)C1 ZINC000066101440 136136806 /nfs/dbraw/zinc/13/68/06/136136806.db2.gz NJJWEWNCWUADKG-OAHLLOKOSA-N 0 3 365.462 2.305 10 30 FEEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H]2CCc3ncnn3C2)c1 ZINC000113442016 543488091 /nfs/dbraw/zinc/48/80/91/543488091.db2.gz QILTYGDOUBLLKO-IAGOWNOFSA-N 0 3 366.469 2.135 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCN(CCOCC)[C@@H](CC)C2)CC1 ZINC000117046830 543621491 /nfs/dbraw/zinc/62/14/91/543621491.db2.gz AWXZJPUGZDNKQO-IBGZPJMESA-N 0 3 366.550 2.169 10 30 FEEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000132206797 544222998 /nfs/dbraw/zinc/22/29/98/544222998.db2.gz NDWLQARUZNNPIH-QAPCUYQASA-N 0 3 373.476 2.258 10 30 FEEEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000192935765 328347831 /nfs/dbraw/zinc/34/78/31/328347831.db2.gz IDQXPEGTWUFJSG-QGZVFWFLSA-N 0 3 370.478 2.096 10 30 FEEEHN COc1cc(C#N)ccc1OCCN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000157925448 545800337 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Cc1cccc(NC[C@H]2CCN(CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000171652022 546217580 /nfs/dbraw/zinc/21/75/80/546217580.db2.gz LXQMNNPRBMZFOA-QGZVFWFLSA-N 0 3 355.486 2.467 10 30 FEEEHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109184246 670838273 /nfs/dbraw/zinc/83/82/73/670838273.db2.gz YKPAMIHQWKFVSW-MGPQQGTHSA-N 0 3 350.365 2.320 10 30 FEEEHN CN(C)C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000128214994 544039538 /nfs/dbraw/zinc/03/95/38/544039538.db2.gz QKKQFGXRHVNROQ-IBGZPJMESA-N 0 3 353.470 2.226 10 30 FEEEHN C[C@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000246433206 549131890 /nfs/dbraw/zinc/13/18/90/549131890.db2.gz MVQJSGMLTIYOLH-GJZGRUSLSA-N 0 3 356.388 2.324 10 30 FEEEHN C=CCOc1ccc(/C=C/c2nc([C@H]3CNCCN3C)no2)cc1OC ZINC000263145372 549881146 /nfs/dbraw/zinc/88/11/46/549881146.db2.gz CQAOYQQHVNFHBD-PMGBHYCQSA-N 0 3 356.426 2.390 10 30 FEEEHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000108613497 543298150 /nfs/dbraw/zinc/29/81/50/543298150.db2.gz 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ZINC000182357331 547478553 /nfs/dbraw/zinc/47/85/53/547478553.db2.gz SIXBJJXCGPXUIL-YJBOKZPZSA-N 0 3 367.453 2.477 10 30 FEEEHN C[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000183162077 547613530 /nfs/dbraw/zinc/61/35/30/547613530.db2.gz BYDDKFNBLVTZTL-XJKSGUPXSA-N 0 3 354.372 2.330 10 30 FEEEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000190350774 548323839 /nfs/dbraw/zinc/32/38/39/548323839.db2.gz AKTFYSFESOYKRP-ARFHVFGLSA-N 0 3 370.453 2.001 10 30 FEEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000194047437 548427439 /nfs/dbraw/zinc/42/74/39/548427439.db2.gz YQNVQZRQPOJCCQ-CQSZACIVSA-N 0 3 355.467 2.312 10 30 FEEEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000246879178 549234140 /nfs/dbraw/zinc/23/41/40/549234140.db2.gz FSRVWPIWZRYEFI-CABCVRRESA-N 0 3 360.845 2.235 10 30 FEEEHN CC(C)N1CCO[C@@H](CN2CCN([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000249399916 549588162 /nfs/dbraw/zinc/58/81/62/549588162.db2.gz UWOFGLYJSMCTMR-NQIIRXRSSA-N 0 3 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C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177686763 546667656 /nfs/dbraw/zinc/66/76/56/546667656.db2.gz TYWXXEIKUDUYCT-HUUCEWRRSA-N 0 3 372.494 2.183 10 30 FEEEHN C[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000183162094 547613539 /nfs/dbraw/zinc/61/35/39/547613539.db2.gz BYDDKFNBLVTZTL-CZUORRHYSA-N 0 3 354.372 2.330 10 30 FEEEHN CC(C)N1CCO[C@H](CN2CCN([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000249399917 549588467 /nfs/dbraw/zinc/58/84/67/549588467.db2.gz UWOFGLYJSMCTMR-WIYYLYMNSA-N 0 3 356.514 2.346 10 30 FEEEHN COCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000193420270 672723968 /nfs/dbraw/zinc/72/39/68/672723968.db2.gz CHKPUDOXGWHWTM-KOLCDFICSA-N 0 3 359.209 2.232 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000112551962 543452154 /nfs/dbraw/zinc/45/21/54/543452154.db2.gz ZZWNLAOFMJMIRP-BBRMVZONSA-N 0 3 352.442 2.205 10 30 FEEEHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000116794932 543616083 /nfs/dbraw/zinc/61/60/83/543616083.db2.gz GONBLKQJSMMWPC-IBGZPJMESA-N 0 3 366.465 2.368 10 30 FEEEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000129298824 544103612 /nfs/dbraw/zinc/10/36/12/544103612.db2.gz FCHUYTCFAINDMR-OAHLLOKOSA-N 0 3 362.861 2.387 10 30 FEEEHN C[C@H](NCCCOc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000182856371 327791331 /nfs/dbraw/zinc/79/13/31/327791331.db2.gz PNZBKEYJVKSWDK-AWEZNQCLSA-N 0 3 359.451 2.325 10 30 FEEEHN CN(C)C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 ZINC000116783722 326035300 /nfs/dbraw/zinc/03/53/00/326035300.db2.gz OWYBDOWBEKSART-KRWDZBQOSA-N 0 3 369.421 2.133 10 30 FEEEHN Cc1cc(C#N)ccc1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000122030015 326381423 /nfs/dbraw/zinc/38/14/23/326381423.db2.gz ABVBQHACMIACDR-UHFFFAOYSA-N 0 3 351.454 2.300 10 30 FEEEHN C=CCC[C@@H](CN(C)CCN(C)C)Oc1ccc(-n2ccnc2C)nn1 ZINC000072477488 518711527 /nfs/dbraw/zinc/71/15/27/518711527.db2.gz NQBHGBOFWLZBMM-KRWDZBQOSA-N 0 3 358.490 2.178 10 30 FEEEHN CCOC(=O)C(C#N)N=c1ccn(CCc2ccc(OC)c(OC)c2)cc1 ZINC000005473394 521184054 /nfs/dbraw/zinc/18/40/54/521184054.db2.gz RZPSCQUHXNPFTM-KRWDZBQOSA-N 0 3 369.421 2.104 10 30 FEEEHN N#CC1CCN(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000173503817 546283124 /nfs/dbraw/zinc/28/31/24/546283124.db2.gz QXOOUHWOELPMSO-HXUWFJFHSA-N 0 3 370.497 2.377 10 30 FEEEHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000182357392 547478419 /nfs/dbraw/zinc/47/84/19/547478419.db2.gz SIXBJJXCGPXUIL-CRAIPNDOSA-N 0 3 367.453 2.477 10 30 FEEEHN COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000184608815 547853312 /nfs/dbraw/zinc/85/33/12/547853312.db2.gz AZIUDPYPRFLFHU-YOEHRIQHSA-N 0 3 360.458 2.434 10 30 FEEEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000190075647 548316465 /nfs/dbraw/zinc/31/64/65/548316465.db2.gz NCJZQVKGRKHXOH-LSDHHAIUSA-N 0 3 372.494 2.326 10 30 FEEEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000248503782 549451393 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C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000179344592 546935224 /nfs/dbraw/zinc/93/52/24/546935224.db2.gz FNSOPFCGFQHMGA-HKUYNNGSSA-N 0 3 359.445 2.112 10 30 FEEEHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000187855440 548265440 /nfs/dbraw/zinc/26/54/40/548265440.db2.gz BHSSQLFUHNONBF-QGZVFWFLSA-N 0 3 373.497 2.266 10 30 FEEEHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246557527 549161009 /nfs/dbraw/zinc/16/10/09/549161009.db2.gz WLPQWPCMYWPMHI-RHSMWYFYSA-N 0 3 372.469 2.129 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173160953 672348526 /nfs/dbraw/zinc/34/85/26/672348526.db2.gz PTNJRKUTYMWFRK-ZBFHGGJFSA-N 0 3 351.491 2.446 10 30 FEEEHN COCCN1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000106108366 543199789 /nfs/dbraw/zinc/19/97/89/543199789.db2.gz AIVPBXYHVUSNNF-CQSZACIVSA-N 0 3 364.877 2.193 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000112551882 543451765 /nfs/dbraw/zinc/45/17/65/543451765.db2.gz VNRQKTSYDVJOQT-CABCVRRESA-N 0 3 358.490 2.037 10 30 FEEEHN C[C@@H](O)CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000120582329 543682259 /nfs/dbraw/zinc/68/22/59/543682259.db2.gz LVKIYTMMFDPFAT-QZTJIDSGSA-N 0 3 367.497 2.351 10 30 FEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192708298 328334263 /nfs/dbraw/zinc/33/42/63/328334263.db2.gz BZHQIXPIFFIYMN-HNNXBMFYSA-N 0 3 361.490 2.146 10 30 FEEEHN Cc1cc(N2CCC[C@@H](NCc3ccc(O[C@@H](C)C#N)cc3)C2=O)n(C)n1 ZINC000173851479 546287331 /nfs/dbraw/zinc/28/73/31/546287331.db2.gz BFOYKVBBSPBIHM-MAUKXSAKSA-N 0 3 367.453 2.305 10 30 FEEEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180039227 547042226 /nfs/dbraw/zinc/04/22/26/547042226.db2.gz JBCJXRUMOZJDTO-ZIAGYGMSSA-N 0 3 353.875 2.459 10 30 FEEEHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C1CCN(CCn2cccn2)CC1 ZINC000106129118 543206051 /nfs/dbraw/zinc/20/60/51/543206051.db2.gz YDMWBHYSVIJHTN-SFHVURJKSA-N 0 3 361.534 2.092 10 30 FEEEHN C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000129482535 544115014 /nfs/dbraw/zinc/11/50/14/544115014.db2.gz ULZCXVRKFLWDNF-QGZVFWFLSA-N 0 3 359.470 2.427 10 30 FEEEHN CCOCCN1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1CC ZINC000157956957 545804873 /nfs/dbraw/zinc/80/48/73/545804873.db2.gz RIRCBOHAGAVFCM-SFHVURJKSA-N 0 3 361.486 2.378 10 30 FEEEHN COCCN1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000180100103 547051420 /nfs/dbraw/zinc/05/14/20/547051420.db2.gz QDQIQTJAXMTEIP-MRXNPFEDSA-N 0 3 353.470 2.111 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC000187800619 548264201 /nfs/dbraw/zinc/26/42/01/548264201.db2.gz HADPPHHNHKKBNV-GOEBONIOSA-N 0 3 369.481 2.491 10 30 FEEEHN CCn1cc(C2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)cn1 ZINC000195499404 548650943 /nfs/dbraw/zinc/65/09/43/548650943.db2.gz NNWYOSDUACLZQC-LJQANCHMSA-N 0 3 354.454 2.394 10 30 FEEEHN COc1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1OCCCC#N ZINC000245801904 548996897 /nfs/dbraw/zinc/99/68/97/548996897.db2.gz XYJOTCNLYYKECM-SJORKVTESA-N 0 3 361.486 2.265 10 30 FEEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000246386742 549122199 /nfs/dbraw/zinc/12/21/99/549122199.db2.gz KHBKXWYTNXQXCD-GDBMZVCRSA-N 0 3 374.510 2.476 10 30 FEEEHN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000248430564 549434845 /nfs/dbraw/zinc/43/48/45/549434845.db2.gz AZIUDPYPRFLFHU-RHSMWYFYSA-N 0 3 360.458 2.434 10 30 FEEEHN CCN1CCC[C@@H](CN(C)C(=O)NC[C@@H]2CCOC2)[C@@H]1c1cnn(C)c1 ZINC000328633358 553799611 /nfs/dbraw/zinc/79/96/11/553799611.db2.gz SNUZHVLTSIAQIW-XYJFISCASA-N 0 3 363.506 2.075 10 30 FEEEHN COC(=O)Cn1ncc(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O ZINC000005447506 539411138 /nfs/dbraw/zinc/41/11/38/539411138.db2.gz ARNOPVZJYLSHDW-SECBINFHSA-N 0 3 374.809 2.335 10 30 FEEEHN CCN(CC)CCNC(=O)C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000049625139 221025726 /nfs/dbraw/zinc/02/57/26/221025726.db2.gz OLJCZTUUCVWUJZ-UHFFFAOYSA-N 0 3 350.444 2.351 10 30 FEEEHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000192475197 328321332 /nfs/dbraw/zinc/32/13/32/328321332.db2.gz STZPGQSBNSMOTB-RHSMWYFYSA-N 0 3 354.406 2.420 10 30 FEEEHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1C#N ZINC000119237304 326140436 /nfs/dbraw/zinc/14/04/36/326140436.db2.gz ZWNWUBWCASQNLA-PBHICJAKSA-N 0 3 372.469 2.129 10 30 FEEEHN CN(CCCNC=C1C=CC=CC1=O)CCCNC=C1C=CC=CC1=O ZINC000103682909 522742970 /nfs/dbraw/zinc/74/29/70/522742970.db2.gz INLCIBYKCJXHEO-YGGBKCGDSA-N 0 3 353.466 2.036 10 30 FEEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](CN(C)C)C2)c1 ZINC000155313873 545509845 /nfs/dbraw/zinc/50/98/45/545509845.db2.gz FYAVUENSSZWUGR-UYAOXDASSA-N 0 3 372.513 2.201 10 30 FEEEHN CCn1cnnc1[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000157749761 545779587 /nfs/dbraw/zinc/77/95/87/545779587.db2.gz IKDBSUNAAPTCIX-MRXNPFEDSA-N 0 3 355.442 2.437 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000171804653 546225946 /nfs/dbraw/zinc/22/59/46/546225946.db2.gz LSXLCAKYSFWTDB-QUCCMNQESA-N 0 3 355.482 2.363 10 30 FEEEHN COc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1OCCCC#N ZINC000245801900 548997119 /nfs/dbraw/zinc/99/71/19/548997119.db2.gz XYJOTCNLYYKECM-IRXDYDNUSA-N 0 3 361.486 2.265 10 30 FEEEHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1C#N ZINC000246278918 549094775 /nfs/dbraw/zinc/09/47/75/549094775.db2.gz ZWNWUBWCASQNLA-WMLDXEAASA-N 0 3 372.469 2.129 10 30 FEEEHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000247146865 549290856 /nfs/dbraw/zinc/29/08/56/549290856.db2.gz TYWXXEIKUDUYCT-CABCVRRESA-N 0 3 372.494 2.183 10 30 FEEEHN C=CCC[C@@H](CN1CCCC1)Oc1ncc(F)c(N2CCOCC2)n1 ZINC000072424391 132303102 /nfs/dbraw/zinc/30/31/02/132303102.db2.gz XOUSZAHAZHTWND-HNNXBMFYSA-N 0 3 350.438 2.262 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000097258674 543008444 /nfs/dbraw/zinc/00/84/44/543008444.db2.gz NVYQMYJUYFAOLY-MRXNPFEDSA-N 0 3 374.485 2.376 10 30 FEEEHN Cc1ccc(N2CCCN(CCC(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000106074854 543189550 /nfs/dbraw/zinc/18/95/50/543189550.db2.gz IUGRTDZPZVZHMH-UHFFFAOYSA-N 0 3 364.453 2.198 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000106340611 543224120 /nfs/dbraw/zinc/22/41/20/543224120.db2.gz OLNOSKZXAMHWDN-MRXNPFEDSA-N 0 3 361.490 2.383 10 30 FEEEHN C[C@H](C#N)Oc1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121559552 543696408 /nfs/dbraw/zinc/69/64/08/543696408.db2.gz CJSGHIUEVYCCTL-QGZVFWFLSA-N 0 3 353.470 2.419 10 30 FEEEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000192936733 328347789 /nfs/dbraw/zinc/34/77/89/328347789.db2.gz IINNKTWUYOKFJI-SFHVURJKSA-N 0 3 370.478 2.096 10 30 FEEEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1nccnc1C#N ZINC000107895803 325636800 /nfs/dbraw/zinc/63/68/00/325636800.db2.gz COMSRBXONQANEG-LJQANCHMSA-N 0 3 351.454 2.230 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000159250905 545936742 /nfs/dbraw/zinc/93/67/42/545936742.db2.gz QCOXTIKXCWQFHW-INIZCTEOSA-N 0 3 360.506 2.056 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000160582513 546053578 /nfs/dbraw/zinc/05/35/78/546053578.db2.gz MMVLPMOOZZQWIY-QGZVFWFLSA-N 0 3 374.485 2.376 10 30 FEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000173927847 546288348 /nfs/dbraw/zinc/28/83/48/546288348.db2.gz GAOFUEIYNDMWDH-MSOLQXFVSA-N 0 3 360.506 2.323 10 30 FEEEHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000180248825 547073220 /nfs/dbraw/zinc/07/32/20/547073220.db2.gz KZUKRVDXTJACOM-UZLBHIALSA-N 0 3 365.481 2.111 10 30 FEEEHN C[C@H](NCC(=O)N(CCC#N)CCC#N)c1cccc(-n2ccnc2)c1 ZINC000180649524 547150899 /nfs/dbraw/zinc/15/08/99/547150899.db2.gz VVWQJRZRCKGJCR-INIZCTEOSA-N 0 3 350.426 2.179 10 30 FEEEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2sccc2C#N)C1 ZINC000195296241 548614867 /nfs/dbraw/zinc/61/48/67/548614867.db2.gz UOWKMDHVJMPVEF-INIZCTEOSA-N 0 3 369.494 2.407 10 30 FEEEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249201490 549568575 /nfs/dbraw/zinc/56/85/75/549568575.db2.gz QZLOGYAFIQGSJG-CABCVRRESA-N 0 3 360.845 2.235 10 30 FEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101793782 543045742 /nfs/dbraw/zinc/04/57/42/543045742.db2.gz FNWIKMCCPILHJW-SFHVURJKSA-N 0 3 357.502 2.366 10 30 FEEEHN N#CCCn1cc(CN2CC[C@@H](N3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000120969405 543687184 /nfs/dbraw/zinc/68/71/84/543687184.db2.gz JIUOGOFHMWPNDD-HXUWFJFHSA-N 0 3 365.481 2.370 10 30 FEEEHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247530777 549351601 /nfs/dbraw/zinc/35/16/01/549351601.db2.gz ZVJNDZKDCROLMU-VQIMIIECSA-N 0 3 358.486 2.445 10 30 FEEEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190338700 328201036 /nfs/dbraw/zinc/20/10/36/328201036.db2.gz QZLOGYAFIQGSJG-LSDHHAIUSA-N 0 3 360.845 2.235 10 30 FEEEHN Cc1cccc(NC[C@@H]2CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000171650773 327151498 /nfs/dbraw/zinc/15/14/98/327151498.db2.gz AJNVUCCGZUCOBZ-OALUTQOASA-N 0 3 366.465 2.435 10 30 FEEEHN Cn1cc(C#N)cc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000176224746 327441854 /nfs/dbraw/zinc/44/18/54/327441854.db2.gz PNZXVWPTBWKYPV-FQEVSTJZSA-N 0 3 366.465 2.072 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000171804654 546226022 /nfs/dbraw/zinc/22/60/22/546226022.db2.gz LSXLCAKYSFWTDB-AZUAARDMSA-N 0 3 355.482 2.363 10 30 FEEEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000195301245 548617070 /nfs/dbraw/zinc/61/70/70/548617070.db2.gz UUFZRBVHAPJDLC-IBGZPJMESA-N 0 3 369.513 2.178 10 30 FEEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000246315448 549103330 /nfs/dbraw/zinc/10/33/30/549103330.db2.gz FFKMVRKGOLKVRG-MAUKXSAKSA-N 0 3 372.469 2.153 10 30 FEEEHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000246922139 549242937 /nfs/dbraw/zinc/24/29/37/549242937.db2.gz IADFKOWSFSPCLY-IEBWSBKVSA-N 0 3 371.481 2.386 10 30 FEEEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000248503781 549451142 /nfs/dbraw/zinc/45/11/42/549451142.db2.gz VAIZYPXOOAOGBE-KBPBESRZSA-N 0 3 353.875 2.459 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173160922 672348616 /nfs/dbraw/zinc/34/86/16/672348616.db2.gz PTNJRKUTYMWFRK-GOEBONIOSA-N 0 3 351.491 2.446 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](NC(=O)CCC)C2)CC1 ZINC000106340886 543224567 /nfs/dbraw/zinc/22/45/67/543224567.db2.gz LTAIGZXYPHLJRI-KRWDZBQOSA-N 0 3 350.507 2.117 10 30 FEEEHN N#Cc1cc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c[nH]1 ZINC000181292926 327723902 /nfs/dbraw/zinc/72/39/02/327723902.db2.gz LMVSHRMSZZEGIU-LJQANCHMSA-N 0 3 352.438 2.062 10 30 FEEEHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](CC(C)C)CN(C)C)CC2)o1 ZINC000189490827 328151375 /nfs/dbraw/zinc/15/13/75/328151375.db2.gz CUQJGQQLKXFLSV-MRXNPFEDSA-N 0 3 361.490 2.164 10 30 FEEEHN N#Cc1c[nH]c(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000176516658 546456228 /nfs/dbraw/zinc/45/62/28/546456228.db2.gz UEAHCHJDYCMRQW-LJQANCHMSA-N 0 3 352.438 2.062 10 30 FEEEHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177684705 546666805 /nfs/dbraw/zinc/66/68/05/546666805.db2.gz OLCOIZWUIWVFGM-HUUCEWRRSA-N 0 3 372.494 2.326 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181566065 547337377 /nfs/dbraw/zinc/33/73/77/547337377.db2.gz WFFZKGFMORFRKW-INIZCTEOSA-N 0 3 360.506 2.056 10 30 FEEEHN Cn1cc(CN2CCC[C@@H](Cn3cncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000183257848 547627941 /nfs/dbraw/zinc/62/79/41/547627941.db2.gz RWDLJCQNOMVUIR-QGZVFWFLSA-N 0 3 361.453 2.462 10 30 FEEEHN Cc1cccc(NC[C@H]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000246061259 549043006 /nfs/dbraw/zinc/04/30/06/549043006.db2.gz AJNVUCCGZUCOBZ-RTBURBONSA-N 0 3 366.465 2.435 10 30 FEEEHN C=CCOc1ccc(/C=C/c2nc([C@@H]3CNCCN3C)no2)cc1OC ZINC000263145375 549881069 /nfs/dbraw/zinc/88/10/69/549881069.db2.gz CQAOYQQHVNFHBD-VFADXPBXSA-N 0 3 356.426 2.390 10 30 FEEEHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052853082 540493942 /nfs/dbraw/zinc/49/39/42/540493942.db2.gz UNPDQPXQMLFZRU-IBGZPJMESA-N 0 3 366.465 2.215 10 30 FEEEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000103476598 543110007 /nfs/dbraw/zinc/11/00/07/543110007.db2.gz LDTVAALNSITMCV-INIZCTEOSA-N 0 3 352.442 2.378 10 30 FEEEHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695333 324420200 /nfs/dbraw/zinc/42/02/00/324420200.db2.gz JFTXYBSRAQJGBI-WMLDXEAASA-N 0 3 374.462 2.052 10 30 FEEEHN CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1C[C@@H](C)O ZINC000180099634 547051514 /nfs/dbraw/zinc/05/15/14/547051514.db2.gz XNYHMSDSCQMUBW-OXQOHEQNSA-N 0 3 367.497 2.236 10 30 FEEEHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000180248844 547073247 /nfs/dbraw/zinc/07/32/47/547073247.db2.gz KZUKRVDXTJACOM-JXFKEZNVSA-N 0 3 365.481 2.111 10 30 FEEEHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000246922154 549243349 /nfs/dbraw/zinc/24/33/49/549243349.db2.gz IADFKOWSFSPCLY-PKOBYXMFSA-N 0 3 371.481 2.386 10 30 FEEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000247334857 549320019 /nfs/dbraw/zinc/32/00/19/549320019.db2.gz NDWLQARUZNNPIH-CRAIPNDOSA-N 0 3 373.476 2.258 10 30 FEEEHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246058260 672829158 /nfs/dbraw/zinc/82/91/58/672829158.db2.gz YKPAMIHQWKFVSW-BFHYXJOUSA-N 0 3 350.365 2.320 10 30 FEEEHN Cc1ccc(N2CCCN(CCC(=O)Nc3ccccc3C#N)CC2)nn1 ZINC000106072522 543190151 /nfs/dbraw/zinc/19/01/51/543190151.db2.gz CXQGLZARQCXDFY-UHFFFAOYSA-N 0 3 364.453 2.198 10 30 FEEEHN C#Cc1cccc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000109381277 543323388 /nfs/dbraw/zinc/32/33/88/543323388.db2.gz FLVCVCJCSCUNFM-UHFFFAOYSA-N 0 3 351.454 2.493 10 30 FEEEHN CN(C)Cc1ccc(N2CCN(c3ncc(C#N)cc3Cl)CC2)nc1 ZINC000114709665 543531194 /nfs/dbraw/zinc/53/11/94/543531194.db2.gz OYXJYTQDNUKIPV-UHFFFAOYSA-N 0 3 356.861 2.390 10 30 FEEEHN CCc1nccn1[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561785 549357710 /nfs/dbraw/zinc/35/77/10/549357710.db2.gz GDUZWOLIGDLEPW-QZTJIDSGSA-N 0 3 354.454 2.394 10 30 FEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)C(C)C ZINC000173927829 546288135 /nfs/dbraw/zinc/28/81/35/546288135.db2.gz GAOFUEIYNDMWDH-ROUUACIJSA-N 0 3 360.506 2.323 10 30 FEEEHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177686774 546667228 /nfs/dbraw/zinc/66/72/28/546667228.db2.gz TYWXXEIKUDUYCT-LSDHHAIUSA-N 0 3 372.494 2.183 10 30 FEEEHN C=CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)c1 ZINC000190339618 548323854 /nfs/dbraw/zinc/32/38/54/548323854.db2.gz CNSLONOXIJITCI-IAGOWNOFSA-N 0 3 357.454 2.275 10 30 FEEEHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000247067790 549276159 /nfs/dbraw/zinc/27/61/59/549276159.db2.gz OLCOIZWUIWVFGM-GJZGRUSLSA-N 0 3 372.494 2.326 10 30 FEEEHN C[C@@H](CN(C)Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000311766246 553755598 /nfs/dbraw/zinc/75/55/98/553755598.db2.gz IYHSKNVEGGMUOH-KRWDZBQOSA-N 0 3 371.506 2.442 10 30 FEEEHN CCc1nccn1[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000106215045 543218306 /nfs/dbraw/zinc/21/83/06/543218306.db2.gz GDUZWOLIGDLEPW-ROUUACIJSA-N 0 3 354.454 2.394 10 30 FEEEHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000109036099 543311610 /nfs/dbraw/zinc/31/16/10/543311610.db2.gz JQGJJLNCLBZBDH-KGLIPLIRSA-N 0 3 360.483 2.182 10 30 FEEEHN COc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1OCCCC#N ZINC000120656361 543683298 /nfs/dbraw/zinc/68/32/98/543683298.db2.gz XYJOTCNLYYKECM-DLBZAZTESA-N 0 3 361.486 2.265 10 30 FEEEHN CN(CCC#N)c1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121583648 543696988 /nfs/dbraw/zinc/69/69/88/543696988.db2.gz SGUGRRKGYAFTEJ-UHFFFAOYSA-N 0 3 366.513 2.478 10 30 FEEEHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000132403434 544230446 /nfs/dbraw/zinc/23/04/46/544230446.db2.gz ZVJNDZKDCROLMU-APWZRJJASA-N 0 3 358.486 2.445 10 30 FEEEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000192936747 328347799 /nfs/dbraw/zinc/34/77/99/328347799.db2.gz IINNKTWUYOKFJI-GOSISDBHSA-N 0 3 370.478 2.096 10 30 FEEEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)c1nccnc1C#N ZINC000107895800 325636756 /nfs/dbraw/zinc/63/67/56/325636756.db2.gz COMSRBXONQANEG-IBGZPJMESA-N 0 3 351.454 2.230 10 30 FEEEHN CN(C)Cc1ccc(N2CCN(C(=O)c3sccc3C#N)CC2)nc1 ZINC000114414042 325890292 /nfs/dbraw/zinc/89/02/92/325890292.db2.gz MNVFQOLJZPKFMI-UHFFFAOYSA-N 0 3 355.467 2.039 10 30 FEEEHN CN(C)C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCO1 ZINC000116785209 326034917 /nfs/dbraw/zinc/03/49/17/326034917.db2.gz MKTMZWWSNWLGBM-SFHVURJKSA-N 0 3 369.421 2.133 10 30 FEEEHN CN(C(=O)/C=C/c1ccccc1C#N)C1CCN(CCn2cccn2)CC1 ZINC000171934270 327171166 /nfs/dbraw/zinc/17/11/66/327171166.db2.gz UKDLCZVQNLHTHQ-BQYQJAHWSA-N 0 3 363.465 2.391 10 30 FEEEHN N#CC1CCN(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000173503826 546282623 /nfs/dbraw/zinc/28/26/23/546282623.db2.gz QXOOUHWOELPMSO-FQEVSTJZSA-N 0 3 370.497 2.377 10 30 FEEEHN Cc1cc(N2CCC[C@@H](NCc3ccc(O[C@H](C)C#N)cc3)C2=O)n(C)n1 ZINC000173851502 546287277 /nfs/dbraw/zinc/28/72/77/546287277.db2.gz BFOYKVBBSPBIHM-CRAIPNDOSA-N 0 3 367.453 2.305 10 30 FEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181733340 547369445 /nfs/dbraw/zinc/36/94/45/547369445.db2.gz NJDUDNICISJSEW-GJZGRUSLSA-N 0 3 360.458 2.008 10 30 FEEEHN CC[C@H](O)CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000123486149 543764122 /nfs/dbraw/zinc/76/41/22/543764122.db2.gz AXOWJDVGOYDDMZ-FQEVSTJZSA-N 0 3 367.497 2.352 10 30 FEEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000190548767 328215370 /nfs/dbraw/zinc/21/53/70/328215370.db2.gz LORUSBQYJNFMNI-AWEZNQCLSA-N 0 3 357.483 2.256 10 30 FEEEHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000054538943 324761626 /nfs/dbraw/zinc/76/16/26/324761626.db2.gz FGDSFFVEIULVLO-MRXNPFEDSA-N 0 3 360.458 2.314 10 30 FEEEHN CCC[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)N(C)C ZINC000161472857 327000288 /nfs/dbraw/zinc/00/02/88/327000288.db2.gz LXQFOUNKNMCHOZ-GOSISDBHSA-N 0 3 368.485 2.105 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000112551964 517492391 /nfs/dbraw/zinc/49/23/91/517492391.db2.gz ZZWNLAOFMJMIRP-CJNGLKHVSA-N 0 3 352.442 2.205 10 30 FEEEHN CC(C)Oc1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)cc1C#N ZINC000157751436 545779505 /nfs/dbraw/zinc/77/95/05/545779505.db2.gz HRKOENPNKMQJAL-QGZVFWFLSA-N 0 3 360.458 2.314 10 30 FEEEHN CCOCCN1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1CC ZINC000157956813 545804894 /nfs/dbraw/zinc/80/48/94/545804894.db2.gz RIRCBOHAGAVFCM-GOSISDBHSA-N 0 3 361.486 2.378 10 30 FEEEHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000116309702 543606674 /nfs/dbraw/zinc/60/66/74/543606674.db2.gz IADFKOWSFSPCLY-MJGOQNOKSA-N 0 3 371.481 2.386 10 30 FEEEHN N#Cc1cc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)ccn1 ZINC000193398033 328372802 /nfs/dbraw/zinc/37/28/02/328372802.db2.gz OROOAZZZNVZDMG-FQEVSTJZSA-N 0 3 364.449 2.129 10 30 FEEEHN Cc1cccc(NC[C@H]2CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000171650775 327151637 /nfs/dbraw/zinc/15/16/37/327151637.db2.gz AJNVUCCGZUCOBZ-MOPGFXCFSA-N 0 3 366.465 2.435 10 30 FEEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000171705160 546219497 /nfs/dbraw/zinc/21/94/97/546219497.db2.gz CAPVKUIVMBCKQY-CQSZACIVSA-N 0 3 365.499 2.101 10 30 FEEEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000174085664 546291349 /nfs/dbraw/zinc/29/13/49/546291349.db2.gz IZKFVKQFVPPLSA-CVEARBPZSA-N 0 3 366.469 2.080 10 30 FEEEHN N#CCCCCNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174726943 546302409 /nfs/dbraw/zinc/30/24/09/546302409.db2.gz HWVBPNCHWOPFNM-IBGZPJMESA-N 0 3 358.486 2.425 10 30 FEEEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184600192 547852173 /nfs/dbraw/zinc/85/21/73/547852173.db2.gz IJEGOVYOBNWDHP-MRXNPFEDSA-N 0 3 353.430 2.087 10 30 FEEEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184963584 547908474 /nfs/dbraw/zinc/90/84/74/547908474.db2.gz VAIZYPXOOAOGBE-ZIAGYGMSSA-N 0 3 353.875 2.459 10 30 FEEEHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3nc(C)cs3)C2)CC1 ZINC000194255523 548455581 /nfs/dbraw/zinc/45/55/81/548455581.db2.gz JYFONDBYQUEKNB-OAHLLOKOSA-N 0 3 350.488 2.185 10 30 FEEEHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000247067773 549276097 /nfs/dbraw/zinc/27/60/97/549276097.db2.gz OLCOIZWUIWVFGM-CABCVRRESA-N 0 3 372.494 2.326 10 30 FEEEHN C=CC[C@H](CO)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000248816087 672863565 /nfs/dbraw/zinc/86/35/65/672863565.db2.gz ALVDGQFGJYNDMK-BZUAXINKSA-N 0 3 356.388 2.350 10 30 FEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000083702195 542700888 /nfs/dbraw/zinc/70/08/88/542700888.db2.gz HKAFEPCDJQMUSA-SJORKVTESA-N 0 3 360.506 2.419 10 30 FEEEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1c[nH]c(C#N)c1 ZINC000181331302 327725363 /nfs/dbraw/zinc/72/53/63/327725363.db2.gz WRHZKZLAKZJROZ-FQEVSTJZSA-N 0 3 366.465 2.404 10 30 FEEEHN CCC[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)N(C)C ZINC000161472764 327000502 /nfs/dbraw/zinc/00/05/02/327000502.db2.gz LXQFOUNKNMCHOZ-SFHVURJKSA-N 0 3 368.485 2.105 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)CC1 ZINC000188682521 548285615 /nfs/dbraw/zinc/28/56/15/548285615.db2.gz QSLVUQCKGVLJRZ-SFHVURJKSA-N 0 3 361.490 2.026 10 30 FEEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)CCCCC#N)C1 ZINC000192935122 548376593 /nfs/dbraw/zinc/37/65/93/548376593.db2.gz MOXGPRYOQDGTHS-HNNXBMFYSA-N 0 3 370.544 2.229 10 30 FEEEHN N#Cc1ccccc1Cn1c(=O)c2ccccc2nc1N1CCC[C@@H](N)C1 ZINC000006716417 539435076 /nfs/dbraw/zinc/43/50/76/539435076.db2.gz OYNURZXTLNNKAP-QGZVFWFLSA-N 0 3 359.433 2.244 10 30 in-vivo FEEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000083702196 542701254 /nfs/dbraw/zinc/70/12/54/542701254.db2.gz HKAFEPCDJQMUSA-DLBZAZTESA-N 0 3 360.506 2.419 10 30 FEEEHN Cc1ccc(N2CCCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)nn1 ZINC000106074755 543189730 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C=CCc1ccc(OC[C@H](O)CN2CCN3CCCC[C@H]3C2)c(OC)c1 ZINC000248327409 549419007 /nfs/dbraw/zinc/41/90/07/549419007.db2.gz CJVMXNSMJKWMQX-RBUKOAKNSA-N 0 3 360.498 2.334 10 30 FEEEHN C#CCN1CCC(C(=O)N[C@@H](C(=O)OCC)c2ccc(Cl)cc2)CC1 ZINC000193855212 672738623 /nfs/dbraw/zinc/73/86/23/672738623.db2.gz IVJUORHWVFYVNV-QGZVFWFLSA-N 0 3 362.857 2.406 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121871460 206112022 /nfs/dbraw/zinc/11/20/22/206112022.db2.gz RYZDCPONIRCXJU-CQSZACIVSA-N 0 3 350.850 2.243 10 30 FEEEHN C#CCOc1ccc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526597 542593401 /nfs/dbraw/zinc/59/34/01/542593401.db2.gz CHAORDLHHYZRQW-GOSISDBHSA-N 0 3 352.438 2.026 10 30 FEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000097258673 543009037 /nfs/dbraw/zinc/00/90/37/543009037.db2.gz NVYQMYJUYFAOLY-INIZCTEOSA-N 0 3 374.485 2.376 10 30 FEEEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000103477659 543110104 /nfs/dbraw/zinc/11/01/04/543110104.db2.gz 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30 FEEEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000103476407 543110035 /nfs/dbraw/zinc/11/00/35/543110035.db2.gz QBZSSHRSCJRZED-MRXNPFEDSA-N 0 3 352.442 2.378 10 30 FEEEHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000108613493 543298225 /nfs/dbraw/zinc/29/82/25/543298225.db2.gz GCGVGSGLJCOYNV-KGLIPLIRSA-N 0 3 360.483 2.039 10 30 FEEEHN N#Cc1ccc2c(c1)O[C@@H](CN1CCC(CCN3CCOC3=O)CC1)CO2 ZINC000142750529 544418471 /nfs/dbraw/zinc/41/84/71/544418471.db2.gz SJHYCYRVNROAQG-KRWDZBQOSA-N 0 3 371.437 2.252 10 30 FEEEHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695341 324420613 /nfs/dbraw/zinc/42/06/13/324420613.db2.gz JFTXYBSRAQJGBI-YOEHRIQHSA-N 0 3 374.462 2.052 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@H](NC(=O)c2ccccc2OC)C(C)C)CC1 ZINC000171723688 546222375 /nfs/dbraw/zinc/22/23/75/546222375.db2.gz XOGDBQYZHYMQOF-LJQANCHMSA-N 0 3 373.497 2.216 10 30 FEEEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000174085625 546291919 /nfs/dbraw/zinc/29/19/19/546291919.db2.gz IZKFVKQFVPPLSA-JKSUJKDBSA-N 0 3 366.469 2.080 10 30 FEEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000180897440 547205829 /nfs/dbraw/zinc/20/58/29/547205829.db2.gz ANOPMGCAYZWOJZ-HNNXBMFYSA-N 0 3 350.422 2.133 10 30 FEEEHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246557541 549161567 /nfs/dbraw/zinc/16/15/67/549161567.db2.gz WLPQWPCMYWPMHI-WMLDXEAASA-N 0 3 372.469 2.129 10 30 FEEEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249180450 549565560 /nfs/dbraw/zinc/56/55/60/549565560.db2.gz NCJZQVKGRKHXOH-CABCVRRESA-N 0 3 372.494 2.326 10 30 FEEEHN C=CCC[C@H](CN1CCCC1)Oc1ncc(F)c(N2CCOCC2)n1 ZINC000072424392 541810199 /nfs/dbraw/zinc/81/01/99/541810199.db2.gz XOUSZAHAZHTWND-OAHLLOKOSA-N 0 3 350.438 2.262 10 30 FEEEHN CN(C)C[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000117029196 543622079 /nfs/dbraw/zinc/62/20/79/543622079.db2.gz IOVCGYQHHMFVQH-INIZCTEOSA-N 0 3 369.387 2.029 10 30 FEEEHN CCN1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000171164982 327121894 /nfs/dbraw/zinc/12/18/94/327121894.db2.gz NHJKUMKJQCEHLT-MRXNPFEDSA-N 0 3 359.449 2.013 10 30 FEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000160582363 546054098 /nfs/dbraw/zinc/05/40/98/546054098.db2.gz MMVLPMOOZZQWIY-KRWDZBQOSA-N 0 3 374.485 2.376 10 30 FEEEHN CN(C)C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000171134807 546192002 /nfs/dbraw/zinc/19/20/02/546192002.db2.gz AVZZDDDLZWEUPM-IBGZPJMESA-N 0 3 374.448 2.359 10 30 FEEEHN C#CCCOc1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177317201 546593051 /nfs/dbraw/zinc/59/30/51/546593051.db2.gz WJKGQWYIFUKUJS-WOJBJXKFSA-N 0 3 370.405 2.181 10 30 FEEEHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1cccc(-n2ccnc2)c1 ZINC000180649545 547150977 /nfs/dbraw/zinc/15/09/77/547150977.db2.gz VVWQJRZRCKGJCR-MRXNPFEDSA-N 0 3 350.426 2.179 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181566044 547337898 /nfs/dbraw/zinc/33/78/98/547337898.db2.gz WFFZKGFMORFRKW-MRXNPFEDSA-N 0 3 360.506 2.056 10 30 FEEEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000190084237 548316729 /nfs/dbraw/zinc/31/67/29/548316729.db2.gz HWBHOGYULCVBLP-NVXWUHKLSA-N 0 3 370.453 2.003 10 30 FEEEHN C=CCn1c(C)cc(C(=O)CN(C)CC2CCN(C[C@@H](C)O)CC2)c1C ZINC000106125771 543204783 /nfs/dbraw/zinc/20/47/83/543204783.db2.gz XYRCYQNBWDZBCB-QGZVFWFLSA-N 0 3 361.530 2.498 10 30 FEEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H]2CCc3ncnn3C2)c1 ZINC000113442021 543488177 /nfs/dbraw/zinc/48/81/77/543488177.db2.gz QILTYGDOUBLLKO-SJORKVTESA-N 0 3 366.469 2.135 10 30 FEEEHN C[C@@H](NCCCOc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000182856394 327791449 /nfs/dbraw/zinc/79/14/49/327791449.db2.gz PNZBKEYJVKSWDK-CQSZACIVSA-N 0 3 359.451 2.325 10 30 FEEEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000190449258 328208201 /nfs/dbraw/zinc/20/82/01/328208201.db2.gz ZGGBMSSTFOWALN-HNNXBMFYSA-N 0 3 352.398 2.215 10 30 FEEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000190548785 328215464 /nfs/dbraw/zinc/21/54/64/328215464.db2.gz LORUSBQYJNFMNI-CQSZACIVSA-N 0 3 357.483 2.256 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192708310 328334324 /nfs/dbraw/zinc/33/43/24/328334324.db2.gz BZHQIXPIFFIYMN-OAHLLOKOSA-N 0 3 361.490 2.146 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101793784 325481458 /nfs/dbraw/zinc/48/14/58/325481458.db2.gz FNWIKMCCPILHJW-GOSISDBHSA-N 0 3 357.502 2.366 10 30 FEEEHN CCOC(=O)C(C#N)N=c1ccn(CCc2ccc(OC)c(OC)c2)cc1 ZINC000005473208 520999004 /nfs/dbraw/zinc/99/90/04/520999004.db2.gz RZPSCQUHXNPFTM-QGZVFWFLSA-N 0 3 369.421 2.104 10 30 FEEEHN CCN1CCC[C@H]1CN(C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000176996587 546521103 /nfs/dbraw/zinc/52/11/03/546521103.db2.gz YMNJBXBOLWGFHU-KRWDZBQOSA-N 0 3 368.485 2.093 10 30 FEEEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1cc(C#N)c[nH]1 ZINC000177463433 546624275 /nfs/dbraw/zinc/62/42/75/546624275.db2.gz MWIWFFHBHKJRPL-FQEVSTJZSA-N 0 3 366.465 2.404 10 30 FEEEHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000178627147 546823180 /nfs/dbraw/zinc/82/31/80/546823180.db2.gz DMWZUMFGNKPRNW-MRXNPFEDSA-N 0 3 372.469 2.132 10 30 FEEEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000190084256 548316402 /nfs/dbraw/zinc/31/64/02/548316402.db2.gz HWBHOGYULCVBLP-DOTOQJQBSA-N 0 3 370.453 2.003 10 30 FEEEHN C#CCSCCNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190717254 548331916 /nfs/dbraw/zinc/33/19/16/548331916.db2.gz PMXVBZIBGDLKOP-HNNXBMFYSA-N 0 3 366.556 2.281 10 30 FEEEHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000245949460 549027368 /nfs/dbraw/zinc/02/73/68/549027368.db2.gz KZUKRVDXTJACOM-OXJNMPFZSA-N 0 3 365.481 2.111 10 30 FEEEHN C[C@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000246433188 549132683 /nfs/dbraw/zinc/13/26/83/549132683.db2.gz MVQJSGMLTIYOLH-CABCVRRESA-N 0 3 356.388 2.324 10 30 FEEEHN C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccc(C)c1)CC2 ZINC000072161371 541792532 /nfs/dbraw/zinc/79/25/32/541792532.db2.gz SUWVWDLPDHJCFE-SFHVURJKSA-N 0 3 372.465 2.469 10 30 FEEEHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C1CCN(CCn2cccn2)CC1 ZINC000106129114 543206003 /nfs/dbraw/zinc/20/60/03/543206003.db2.gz YDMWBHYSVIJHTN-GOSISDBHSA-N 0 3 361.534 2.092 10 30 FEEEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112550986 543451477 /nfs/dbraw/zinc/45/14/77/543451477.db2.gz BNFODHGBXGNIPJ-BXUZGUMPSA-N 0 3 372.860 2.297 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000112551963 543452088 /nfs/dbraw/zinc/45/20/88/543452088.db2.gz ZZWNLAOFMJMIRP-CZUORRHYSA-N 0 3 352.442 2.205 10 30 FEEEHN CCC[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)N(C)C ZINC000128270897 326520792 /nfs/dbraw/zinc/52/07/92/326520792.db2.gz YOUNZYRZLZXTAS-IBGZPJMESA-N 0 3 365.481 2.485 10 30 FEEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000171705156 546219681 /nfs/dbraw/zinc/21/96/81/546219681.db2.gz CAPVKUIVMBCKQY-AWEZNQCLSA-N 0 3 365.499 2.101 10 30 FEEEHN C#CCCOc1ccc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177317211 546592889 /nfs/dbraw/zinc/59/28/89/546592889.db2.gz WJKGQWYIFUKUJS-PMACEKPBSA-N 0 3 370.405 2.181 10 30 FEEEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)c1c[nH]c(C#N)c1 ZINC000181331325 547295039 /nfs/dbraw/zinc/29/50/39/547295039.db2.gz WRHZKZLAKZJROZ-HXUWFJFHSA-N 0 3 366.465 2.404 10 30 FEEEHN Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=N)N)CCC2 ZINC000040825037 205081264 /nfs/dbraw/zinc/08/12/64/205081264.db2.gz SXOZPCVLNRXUTD-CIAFOILYSA-N 0 3 359.455 2.145 10 30 FEEEHN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000108613501 543297876 /nfs/dbraw/zinc/29/78/76/543297876.db2.gz GCGVGSGLJCOYNV-UONOGXRCSA-N 0 3 360.483 2.039 10 30 FEEEHN COc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1OCCCC#N ZINC000120656217 543683190 /nfs/dbraw/zinc/68/31/90/543683190.db2.gz XYJOTCNLYYKECM-IAGOWNOFSA-N 0 3 361.486 2.265 10 30 FEEEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119062632 326122919 /nfs/dbraw/zinc/12/29/19/326122919.db2.gz OCGJAPNTJGDRKU-QGZVFWFLSA-N 0 3 372.469 2.227 10 30 FEEEHN CNc1cc(N2CCC[C@@H]2CNCc2ccc(OC)c(C#N)c2)ncn1 ZINC000174360358 327322055 /nfs/dbraw/zinc/32/20/55/327322055.db2.gz WCHCRMULPZTKBF-MRXNPFEDSA-N 0 3 352.442 2.157 10 30 FEEEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)CSCC#N ZINC000177467452 546625510 /nfs/dbraw/zinc/62/55/10/546625510.db2.gz KQUBCARBHQGCBT-SFHVURJKSA-N 0 3 361.511 2.147 10 30 FEEEHN C#CCSCCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190717272 548332938 /nfs/dbraw/zinc/33/29/38/548332938.db2.gz PMXVBZIBGDLKOP-OAHLLOKOSA-N 0 3 366.556 2.281 10 30 FEEEHN Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=N)N)CCC2 ZINC000040824848 208269694 /nfs/dbraw/zinc/26/96/94/208269694.db2.gz CSYGMSRUVXSEFA-OEAKJJBVSA-N 0 3 353.426 2.084 10 30 FEEEHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695337 324420917 /nfs/dbraw/zinc/42/09/17/324420917.db2.gz JFTXYBSRAQJGBI-PBHICJAKSA-N 0 3 374.462 2.052 10 30 FEEEHN C=CCC[C@H](CN(C)CCN(C)C)Oc1cc(-n2cc(C)cn2)ncn1 ZINC000072474618 518720585 /nfs/dbraw/zinc/72/05/85/518720585.db2.gz VEQHJXOZEABWIO-QGZVFWFLSA-N 0 3 358.490 2.178 10 30 FEEEHN C[C@@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000159912632 545991580 /nfs/dbraw/zinc/99/15/80/545991580.db2.gz MVQJSGMLTIYOLH-LSDHHAIUSA-N 0 3 356.388 2.324 10 30 FEEEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000176000121 546388041 /nfs/dbraw/zinc/38/80/41/546388041.db2.gz WUGIXYDLXCOMFQ-LJQANCHMSA-N 0 3 361.445 2.187 10 30 FEEEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000176890850 546501502 /nfs/dbraw/zinc/50/15/02/546501502.db2.gz LSDZKHOFJCPGAM-KRWDZBQOSA-N 0 3 372.469 2.250 10 30 FEEEHN CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN3CCC[C@H]3C2)ccc1OC ZINC000247243628 549305433 /nfs/dbraw/zinc/30/54/33/549305433.db2.gz NESMFBXRULMOPJ-IRXDYDNUSA-N 0 3 372.469 2.366 10 30 FEEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000083702199 542701328 /nfs/dbraw/zinc/70/13/28/542701328.db2.gz HKAFEPCDJQMUSA-IAGOWNOFSA-N 0 3 360.506 2.419 10 30 FEEEHN CN(C)C[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000108951997 543308793 /nfs/dbraw/zinc/30/87/93/543308793.db2.gz DSUAHCLSNCTWTK-AWEZNQCLSA-N 0 3 362.380 2.475 10 30 FEEEHN CC(C)N1CCO[C@@H](CN2CCN([C@@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000187682542 328039271 /nfs/dbraw/zinc/03/92/71/328039271.db2.gz UWOFGLYJSMCTMR-RXVVDRJESA-N 0 3 356.514 2.346 10 30 FEEEHN CCn1cnnc1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000109005832 325656162 /nfs/dbraw/zinc/65/61/62/325656162.db2.gz LJZOHNCQUZVNJV-UHFFFAOYSA-N 0 3 358.471 2.439 10 30 FEEEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184600217 547852718 /nfs/dbraw/zinc/85/27/18/547852718.db2.gz IJEGOVYOBNWDHP-INIZCTEOSA-N 0 3 353.430 2.087 10 30 FEEEHN C=CCn1c(C)nn(CN2CCN(CCOCC)[C@@H](CC)C2)c1=S ZINC000152606629 672184851 /nfs/dbraw/zinc/18/48/51/672184851.db2.gz KWRAVIJXGGTJLG-INIZCTEOSA-N 0 3 353.536 2.299 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171723034 672335087 /nfs/dbraw/zinc/33/50/87/672335087.db2.gz IFMFTUAGESRFGR-HNNXBMFYSA-N 0 3 351.491 2.400 10 30 FEEEHN C#CCOc1ccc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526595 542593632 /nfs/dbraw/zinc/59/36/32/542593632.db2.gz CHAORDLHHYZRQW-SFHVURJKSA-N 0 3 352.438 2.026 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000111859341 543421085 /nfs/dbraw/zinc/42/10/85/543421085.db2.gz FVFPLKUJZIODOK-HNNXBMFYSA-N 0 3 350.488 2.267 10 30 FEEEHN CN(C)Cc1ccc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc1 ZINC000114511648 543522146 /nfs/dbraw/zinc/52/21/46/543522146.db2.gz WGWGRJUCAIJOCZ-UHFFFAOYSA-N 0 3 364.453 2.369 10 30 FEEEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155124921 326778611 /nfs/dbraw/zinc/77/86/11/326778611.db2.gz DWKYCLARYDPQQJ-NSHDSACASA-N 0 3 374.304 2.329 10 30 FEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181733373 547369081 /nfs/dbraw/zinc/36/90/81/547369081.db2.gz NJDUDNICISJSEW-CABCVRRESA-N 0 3 360.458 2.008 10 30 FEEEHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000245949465 549026622 /nfs/dbraw/zinc/02/66/22/549026622.db2.gz KZUKRVDXTJACOM-OXQOHEQNSA-N 0 3 365.481 2.111 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000152939609 544714551 /nfs/dbraw/zinc/71/45/51/544714551.db2.gz CDPVGRMHBLIZTC-SFHVURJKSA-N 0 3 372.517 2.127 10 30 FEEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)COc2ccccc2C#N)C1 ZINC000190647378 328222092 /nfs/dbraw/zinc/22/20/92/328222092.db2.gz PMPJMZNGZFRCPR-GOSISDBHSA-N 0 3 364.449 2.313 10 30 FEEEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)nc1 ZINC000172223646 546241710 /nfs/dbraw/zinc/24/17/10/546241710.db2.gz GEXKWTGRDRNWPD-UHFFFAOYSA-N 0 3 363.465 2.172 10 30 FEEEHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)CCCCC#N)C1 ZINC000192935134 548376639 /nfs/dbraw/zinc/37/66/39/548376639.db2.gz MOXGPRYOQDGTHS-OAHLLOKOSA-N 0 3 370.544 2.229 10 30 FEEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000246386762 549121983 /nfs/dbraw/zinc/12/19/83/549121983.db2.gz KHBKXWYTNXQXCD-GOEBONIOSA-N 0 3 374.510 2.476 10 30 FEEEHN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000248430565 549435228 /nfs/dbraw/zinc/43/52/28/549435228.db2.gz AZIUDPYPRFLFHU-WMLDXEAASA-N 0 3 360.458 2.434 10 30 FEEEHN COc1cccc(-c2c(C#N)c(SCC(N)=O)nc3c2CN(C)CC3)c1 ZINC000040569967 208256903 /nfs/dbraw/zinc/25/69/03/208256903.db2.gz FQKXAXUJTASWPX-UHFFFAOYSA-N 0 3 368.462 2.194 10 30 FEEEHN CCn1cnnc1C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000107305655 543265877 /nfs/dbraw/zinc/26/58/77/543265877.db2.gz HGOUGASGMSHCAJ-UHFFFAOYSA-N 0 3 352.442 2.378 10 30 FEEEHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H]1CCc2nc(CC)nn2C1 ZINC000112550676 543451497 /nfs/dbraw/zinc/45/14/97/543451497.db2.gz AENHURADHGUKKK-CABCVRRESA-N 0 3 373.526 2.410 10 30 FEEEHN C=CCC[C@@H](CN(C)CCN(C)C)Oc1cc(-n2cc(C)cn2)ncn1 ZINC000072474617 518710590 /nfs/dbraw/zinc/71/05/90/518710590.db2.gz VEQHJXOZEABWIO-KRWDZBQOSA-N 0 3 358.490 2.178 10 30 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546225811 /nfs/dbraw/zinc/22/58/11/546225811.db2.gz LSXLCAKYSFWTDB-ICSRJNTNSA-N 0 3 355.482 2.363 10 30 FEEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000180905595 547206969 /nfs/dbraw/zinc/20/69/69/547206969.db2.gz KWAZRKCJVWERLU-AWEZNQCLSA-N 0 3 368.412 2.273 10 30 FEEEHN C#CCN1CCC(C(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)CC1 ZINC000190514158 548326762 /nfs/dbraw/zinc/32/67/62/548326762.db2.gz YSEBRGLRKLOWQD-QGZVFWFLSA-N 0 3 374.554 2.077 10 30 FEEEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000195288446 548612762 /nfs/dbraw/zinc/61/27/62/548612762.db2.gz CNURYZIWTBBKLQ-IBGZPJMESA-N 0 3 363.465 2.346 10 30 FEEEHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN2CCC[C@H]2C1 ZINC000246825182 549222538 /nfs/dbraw/zinc/22/25/38/549222538.db2.gz WUUMLVQOSHKHPI-IRXDYDNUSA-N 0 3 356.470 2.110 10 30 FEEEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248680871 549482974 /nfs/dbraw/zinc/48/29/74/549482974.db2.gz OMRWEYZCTNGDOX-HOTGVXAUSA-N 0 3 371.485 2.138 10 30 FEEEHN C=C(Br)CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190702025 672646681 /nfs/dbraw/zinc/64/66/81/672646681.db2.gz IBCDAZSOSCPSRG-HNNXBMFYSA-N 0 3 367.291 2.454 10 30 FEEEHN C=CCn1c(C)cc(C(=O)CN(C)CC2CCN(C[C@H](C)O)CC2)c1C ZINC000106125773 543204468 /nfs/dbraw/zinc/20/44/68/543204468.db2.gz XYRCYQNBWDZBCB-KRWDZBQOSA-N 0 3 361.530 2.498 10 30 FEEEHN C#CCOc1ccc(Br)cc1CN[C@H]1CCc2ncnn2C1 ZINC000109072262 543313430 /nfs/dbraw/zinc/31/34/30/543313430.db2.gz JCQNFFTUWPVXNH-AWEZNQCLSA-N 0 3 361.243 2.157 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000111859343 543421413 /nfs/dbraw/zinc/42/14/13/543421413.db2.gz FVFPLKUJZIODOK-OAHLLOKOSA-N 0 3 350.488 2.267 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000117046824 543622029 /nfs/dbraw/zinc/62/20/29/543622029.db2.gz GZTOMMIDRVQDAO-SFHVURJKSA-N 0 3 374.533 2.357 10 30 FEEEHN N#Cc1ccc(CCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159357769 545946436 /nfs/dbraw/zinc/94/64/36/545946436.db2.gz 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FEEEHN C=C(C)CN1CCC(NC(=O)N2CCN(CCOCC)[C@H](CC)C2)CC1 ZINC000117046828 543621453 /nfs/dbraw/zinc/62/14/53/543621453.db2.gz AWXZJPUGZDNKQO-LJQANCHMSA-N 0 3 366.550 2.169 10 30 FEEEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249180454 549565367 /nfs/dbraw/zinc/56/53/67/549565367.db2.gz NCJZQVKGRKHXOH-GJZGRUSLSA-N 0 3 372.494 2.326 10 30 FEEEHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000068223420 221314257 /nfs/dbraw/zinc/31/42/57/221314257.db2.gz PFVSODCWNGJKHO-QGZVFWFLSA-N 0 3 370.501 2.243 10 30 FEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121871318 543700559 /nfs/dbraw/zinc/70/05/59/543700559.db2.gz RYZDCPONIRCXJU-AWEZNQCLSA-N 0 3 350.850 2.243 10 30 FEEEHN C[C@@H](O)CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000120582456 543682567 /nfs/dbraw/zinc/68/25/67/543682567.db2.gz LVKIYTMMFDPFAT-ZWKOTPCHSA-N 0 3 367.497 2.351 10 30 FEEEHN CN(C)C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000128214762 544039412 /nfs/dbraw/zinc/03/94/12/544039412.db2.gz QKKQFGXRHVNROQ-LJQANCHMSA-N 0 3 353.470 2.226 10 30 FEEEHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000132403675 544230068 /nfs/dbraw/zinc/23/00/68/544230068.db2.gz ZVJNDZKDCROLMU-LPHOPBHVSA-N 0 3 358.486 2.445 10 30 FEEEHN C#Cc1cccc(NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000154460989 544909065 /nfs/dbraw/zinc/90/90/65/544909065.db2.gz DEPANWPXBXQFJF-UHFFFAOYSA-N 0 3 363.465 2.479 10 30 FEEEHN CN(Cc1cccnc1)C[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000190449280 328208279 /nfs/dbraw/zinc/20/82/79/328208279.db2.gz ZGGBMSSTFOWALN-OAHLLOKOSA-N 0 3 352.398 2.215 10 30 FEEEHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](n3cncn3)C1)CCC2 ZINC000171701995 327156105 /nfs/dbraw/zinc/15/61/05/327156105.db2.gz ZNZINQJWFLIVPF-CYBMUJFWSA-N 0 3 370.482 2.366 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181733392 547368927 /nfs/dbraw/zinc/36/89/27/547368927.db2.gz NJDUDNICISJSEW-HUUCEWRRSA-N 0 3 360.458 2.008 10 30 FEEEHN N#CCN(CC#N)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000193039536 672710232 /nfs/dbraw/zinc/71/02/32/672710232.db2.gz OFBXAVVGYWQXOL-HUUCEWRRSA-N 0 3 350.344 2.173 10 30 FEEEHN CCOCCN1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1CC ZINC000106119500 543203487 /nfs/dbraw/zinc/20/34/87/543203487.db2.gz SJMCPWOMRSTMTH-MRXNPFEDSA-N 0 3 364.515 2.381 10 30 FEEEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000106208693 543218549 /nfs/dbraw/zinc/21/85/49/543218549.db2.gz RAWFCMVFZQMZGT-PKOBYXMFSA-N 0 3 354.454 2.485 10 30 FEEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCc3ncnn3C2)c1 ZINC000113442024 543487896 /nfs/dbraw/zinc/48/78/96/543487896.db2.gz QILTYGDOUBLLKO-IRXDYDNUSA-N 0 3 366.469 2.135 10 30 FEEEHN N#CCCn1cc(CN2CC[C@H](N3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000120969257 543687479 /nfs/dbraw/zinc/68/74/79/543687479.db2.gz JIUOGOFHMWPNDD-FQEVSTJZSA-N 0 3 365.481 2.370 10 30 FEEEHN COc1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000121071649 543688822 /nfs/dbraw/zinc/68/88/22/543688822.db2.gz KQBVDKAPGJGIGE-GOSISDBHSA-N 0 3 359.470 2.284 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088771021 325300645 /nfs/dbraw/zinc/30/06/45/325300645.db2.gz XOBAKWVBKFUJNG-CYBMUJFWSA-N 0 3 350.850 2.243 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000176790099 546488585 /nfs/dbraw/zinc/48/85/85/546488585.db2.gz XQSYOKCZBOTHDR-ZIAGYGMSSA-N 0 3 370.482 2.045 10 30 FEEEHN N#Cc1ccccc1/C=C/C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000178582422 546815658 /nfs/dbraw/zinc/81/56/58/546815658.db2.gz HYNXLOQEBSTIAL-GLCJEOIMSA-N 0 3 361.445 2.107 10 30 FEEEHN CC[C@@H](O)CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000123486308 543764959 /nfs/dbraw/zinc/76/49/59/543764959.db2.gz AXOWJDVGOYDDMZ-HXUWFJFHSA-N 0 3 367.497 2.352 10 30 FEEEHN CN(C(=O)NCc1cccc(C#N)c1)C1CCN(CCn2cccn2)CC1 ZINC000109393535 325666866 /nfs/dbraw/zinc/66/68/66/325666866.db2.gz CUTZRLIZQAJHOS-UHFFFAOYSA-N 0 3 366.469 2.061 10 30 FEEEHN CCn1cnnc1C1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000158009549 326882042 /nfs/dbraw/zinc/88/20/42/326882042.db2.gz FTSAZURSTRWRSJ-UHFFFAOYSA-N 0 3 355.442 2.437 10 30 FEEEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc(C#N)cs3)CC2)nc1 ZINC000177479880 327525454 /nfs/dbraw/zinc/52/54/54/327525454.db2.gz LPDVYDJEDRFFOD-UHFFFAOYSA-N 0 3 355.467 2.039 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2OC)C(C)C)CC1 ZINC000171723683 546221441 /nfs/dbraw/zinc/22/14/41/546221441.db2.gz XOGDBQYZHYMQOF-IBGZPJMESA-N 0 3 373.497 2.216 10 30 FEEEHN CCOc1c(Br)cc(Br)cc1C=NNC(=N)N ZINC000007929874 539471238 /nfs/dbraw/zinc/47/12/38/539471238.db2.gz TUBZFZOFXHQTBD-PJQLUOCWSA-N 0 3 364.041 2.427 10 30 FEEEHN CCOCCN1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000106117618 543202954 /nfs/dbraw/zinc/20/29/54/543202954.db2.gz TYRQJYXDDXYKJX-SFHVURJKSA-N 0 3 358.486 2.320 10 30 FEEEHN CN(C)Cc1ccc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000114511625 543521908 /nfs/dbraw/zinc/52/19/08/543521908.db2.gz FQMOYYSVYIUPSK-UHFFFAOYSA-N 0 3 364.453 2.369 10 30 FEEEHN CN(C)C[C@@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000117029194 543621766 /nfs/dbraw/zinc/62/17/66/543621766.db2.gz IOVCGYQHHMFVQH-MRXNPFEDSA-N 0 3 369.387 2.029 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000152939492 544714023 /nfs/dbraw/zinc/71/40/23/544714023.db2.gz CDPVGRMHBLIZTC-GOSISDBHSA-N 0 3 372.517 2.127 10 30 FEEEHN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247530771 549351458 /nfs/dbraw/zinc/35/14/58/549351458.db2.gz ZVJNDZKDCROLMU-QFBILLFUSA-N 0 3 358.486 2.445 10 30 FEEEHN CCn1cc(C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)cn1 ZINC000195499402 328480202 /nfs/dbraw/zinc/48/02/02/328480202.db2.gz NNWYOSDUACLZQC-IBGZPJMESA-N 0 3 354.454 2.394 10 30 FEEEHN CCC[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N(C)C ZINC000161463480 327000047 /nfs/dbraw/zinc/00/00/47/327000047.db2.gz ZKQZMRJUOGUXBO-HNNXBMFYSA-N 0 3 371.441 2.185 10 30 FEEEHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171644070 327150838 /nfs/dbraw/zinc/15/08/38/327150838.db2.gz ZJEHVRQRLMLGAR-MSOLQXFVSA-N 0 3 352.438 2.127 10 30 FEEEHN CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN3CCC[C@@H]3C2)ccc1OC ZINC000172271882 546243756 /nfs/dbraw/zinc/24/37/56/546243756.db2.gz NESMFBXRULMOPJ-SJORKVTESA-N 0 3 372.469 2.366 10 30 FEEEHN C=CCN(CCc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000195195811 548594191 /nfs/dbraw/zinc/59/41/91/548594191.db2.gz QPBZBIOIULTXLB-SFHVURJKSA-N 0 3 364.445 2.374 10 30 FEEEHN CC(C)N1CCO[C@H](CN2CCN([C@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000246295394 549098579 /nfs/dbraw/zinc/09/85/79/549098579.db2.gz DRSVLWYOEAVHFD-WIYYLYMNSA-N 0 3 356.514 2.346 10 30 FEEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000247334867 549320236 /nfs/dbraw/zinc/32/02/36/549320236.db2.gz NDWLQARUZNNPIH-MAUKXSAKSA-N 0 3 373.476 2.258 10 30 FEEEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247777487 549379720 /nfs/dbraw/zinc/37/97/20/549379720.db2.gz RAWFCMVFZQMZGT-IEBWSBKVSA-N 0 3 354.454 2.485 10 30 FEEEHN C=CCc1ccc(OC[C@@H](O)CN2CCN3CCCC[C@H]3C2)c(OC)c1 ZINC000248327406 549418876 /nfs/dbraw/zinc/41/88/76/549418876.db2.gz CJVMXNSMJKWMQX-OALUTQOASA-N 0 3 360.498 2.334 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173160931 672348573 /nfs/dbraw/zinc/34/85/73/672348573.db2.gz PTNJRKUTYMWFRK-HOCLYGCPSA-N 0 3 351.491 2.446 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066241106 541294241 /nfs/dbraw/zinc/29/42/41/541294241.db2.gz NSUOYUZCVWAULJ-MRXNPFEDSA-N 0 3 354.458 2.032 10 30 FEEEHN Cc1ccc(N2CCCN(CCC(=O)Nc3sccc3C#N)CC2)nn1 ZINC000106074154 543190088 /nfs/dbraw/zinc/19/00/88/543190088.db2.gz WPPLQTAAAISOBU-UHFFFAOYSA-N 0 3 370.482 2.259 10 30 FEEEHN Cn1cc(C#N)cc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176224762 327441770 /nfs/dbraw/zinc/44/17/70/327441770.db2.gz PNZXVWPTBWKYPV-HXUWFJFHSA-N 0 3 366.465 2.072 10 30 FEEEHN C[C@H](O)CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000245741573 548986231 /nfs/dbraw/zinc/98/62/31/548986231.db2.gz LVKIYTMMFDPFAT-MSOLQXFVSA-N 0 3 367.497 2.351 10 30 FEEEHN C[C@H](O)CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000245741574 548986374 /nfs/dbraw/zinc/98/63/74/548986374.db2.gz LVKIYTMMFDPFAT-ROUUACIJSA-N 0 3 367.497 2.351 10 30 FEEEHN C=CCN(Cc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000028922723 539839931 /nfs/dbraw/zinc/83/99/31/539839931.db2.gz PYZCVDLCNAAHTQ-KRWDZBQOSA-N 0 3 350.418 2.332 10 30 FEEEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000150774308 544469196 /nfs/dbraw/zinc/46/91/96/544469196.db2.gz FFKMVRKGOLKVRG-YJBOKZPZSA-N 0 3 372.469 2.153 10 30 FEEEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)[C@@H](C)C1 ZINC000150785443 544471117 /nfs/dbraw/zinc/47/11/17/544471117.db2.gz KHBKXWYTNXQXCD-HOCLYGCPSA-N 0 3 374.510 2.476 10 30 FEEEHN Cn1cc(CN2CCCN(CCCOc3cccc(C#N)c3)CC2)cn1 ZINC000156206002 545607995 /nfs/dbraw/zinc/60/79/95/545607995.db2.gz BYWHLBBFSMRINH-UHFFFAOYSA-N 0 3 353.470 2.269 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)CC1 ZINC000188682542 548285550 /nfs/dbraw/zinc/28/55/50/548285550.db2.gz QSLVUQCKGVLJRZ-GOSISDBHSA-N 0 3 361.490 2.026 10 30 FEEEHN C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)c1 ZINC000249127512 549557398 /nfs/dbraw/zinc/55/73/98/549557398.db2.gz CNSLONOXIJITCI-IRXDYDNUSA-N 0 3 357.454 2.275 10 30 FEEEHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246058271 672829145 /nfs/dbraw/zinc/82/91/45/672829145.db2.gz YKPAMIHQWKFVSW-MELADBBJSA-N 0 3 350.365 2.320 10 30 FEEEHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000108613498 543297662 /nfs/dbraw/zinc/29/76/62/543297662.db2.gz GCGVGSGLJCOYNV-ZIAGYGMSSA-N 0 3 360.483 2.039 10 30 FEEEHN Cc1nc(CN2CCCN(Cc3ccc(N(C)CCC#N)cc3)CC2)no1 ZINC000127953721 544024170 /nfs/dbraw/zinc/02/41/70/544024170.db2.gz QTUXJBPUKJPNQJ-UHFFFAOYSA-N 0 3 368.485 2.436 10 30 FEEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000150774286 544469307 /nfs/dbraw/zinc/46/93/07/544469307.db2.gz FFKMVRKGOLKVRG-QAPCUYQASA-N 0 3 372.469 2.153 10 30 FEEEHN Cc1cccc(NC[C@@H]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000246061250 549043578 /nfs/dbraw/zinc/04/35/78/549043578.db2.gz AJNVUCCGZUCOBZ-RBUKOAKNSA-N 0 3 366.465 2.435 10 30 FEEEHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000246211544 549079597 /nfs/dbraw/zinc/07/95/97/549079597.db2.gz ZJEHVRQRLMLGAR-QZTJIDSGSA-N 0 3 352.438 2.127 10 30 FEEEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247777488 549380341 /nfs/dbraw/zinc/38/03/41/549380341.db2.gz RAWFCMVFZQMZGT-MJGOQNOKSA-N 0 3 354.454 2.485 10 30 FEEEHN C#CCCOc1ccc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526449 542593158 /nfs/dbraw/zinc/59/31/58/542593158.db2.gz CXGFXKKJTLJUBH-LJQANCHMSA-N 0 3 366.465 2.416 10 30 FEEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCc2nc(CC)nn2C1 ZINC000112550673 543451258 /nfs/dbraw/zinc/45/12/58/543451258.db2.gz AENHURADHGUKKK-GJZGRUSLSA-N 0 3 373.526 2.410 10 30 FEEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000114931439 543545482 /nfs/dbraw/zinc/54/54/82/543545482.db2.gz GISRNBISRRSQRX-DLBZAZTESA-N 0 3 374.533 2.153 10 30 FEEEHN CN(CC(=O)OC(C)(C)C)C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000191980749 328291462 /nfs/dbraw/zinc/29/14/62/328291462.db2.gz VYUMCVHTQIFQIV-LJQANCHMSA-N 0 3 373.497 2.330 10 30 FEEEHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000171231167 327126028 /nfs/dbraw/zinc/12/60/28/327126028.db2.gz GYUSAFOUCMCIPL-ZDUSSCGKSA-N 0 3 368.384 2.128 10 30 FEEEHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000171231172 327126093 /nfs/dbraw/zinc/12/60/93/327126093.db2.gz GYUSAFOUCMCIPL-CYBMUJFWSA-N 0 3 368.384 2.128 10 30 FEEEHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000182357354 547478678 /nfs/dbraw/zinc/47/86/78/547478678.db2.gz SIXBJJXCGPXUIL-MAUKXSAKSA-N 0 3 367.453 2.477 10 30 FEEEHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000246515457 549150827 /nfs/dbraw/zinc/15/08/27/549150827.db2.gz TVJTYRUZFOAZCF-MAUKXSAKSA-N 0 3 359.470 2.425 10 30 FEEEHN N#Cc1ccccc1NC(=O)CCN1CCC(Nc2cccnn2)CC1 ZINC000106081241 543192256 /nfs/dbraw/zinc/19/22/56/543192256.db2.gz FEZGAQYDLWEZCP-UHFFFAOYSA-N 0 3 350.426 2.253 10 30 FEEEHN CCOCCN1CCN(CCC(=O)Nc2sccc2C#N)C[C@@H]1CC ZINC000106119504 543203446 /nfs/dbraw/zinc/20/34/46/543203446.db2.gz SJMCPWOMRSTMTH-INIZCTEOSA-N 0 3 364.515 2.381 10 30 FEEEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112550982 543451226 /nfs/dbraw/zinc/45/12/26/543451226.db2.gz BNFODHGBXGNIPJ-SMDDNHRTSA-N 0 3 372.860 2.297 10 30 FEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000114931434 543545423 /nfs/dbraw/zinc/54/54/23/543545423.db2.gz GISRNBISRRSQRX-SJORKVTESA-N 0 3 374.533 2.153 10 30 FEEEHN CC(C)N1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](C)C1 ZINC000132207000 544222857 /nfs/dbraw/zinc/22/28/57/544222857.db2.gz NDWLQARUZNNPIH-YJBOKZPZSA-N 0 3 373.476 2.258 10 30 FEEEHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000150798917 544474000 /nfs/dbraw/zinc/47/40/00/544474000.db2.gz TVJTYRUZFOAZCF-YJBOKZPZSA-N 0 3 359.470 2.425 10 30 FEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000121838222 326370972 /nfs/dbraw/zinc/37/09/72/326370972.db2.gz ZPSKJXQHHAEBDX-AWEZNQCLSA-N 0 3 350.850 2.243 10 30 FEEEHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180899363 547205653 /nfs/dbraw/zinc/20/56/53/547205653.db2.gz KUZRTGMGMOJGRY-INIZCTEOSA-N 0 3 364.449 2.442 10 30 FEEEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000195279521 548611339 /nfs/dbraw/zinc/61/13/39/548611339.db2.gz HZSGWYDQYCPDFU-IBGZPJMESA-N 0 3 363.465 2.346 10 30 FEEEHN C#CCN1CCC(C(=O)N[C@H](C(=O)OCC)c2ccc(Cl)cc2)CC1 ZINC000193855223 672738705 /nfs/dbraw/zinc/73/87/05/672738705.db2.gz IVJUORHWVFYVNV-KRWDZBQOSA-N 0 3 362.857 2.406 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)CC1 ZINC000106340608 543224112 /nfs/dbraw/zinc/22/41/12/543224112.db2.gz OLNOSKZXAMHWDN-INIZCTEOSA-N 0 3 361.490 2.383 10 30 FEEEHN COc1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000121071501 543688799 /nfs/dbraw/zinc/68/87/99/543688799.db2.gz KQBVDKAPGJGIGE-SFHVURJKSA-N 0 3 359.470 2.284 10 30 FEEEHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000192475185 328321326 /nfs/dbraw/zinc/32/13/26/328321326.db2.gz STZPGQSBNSMOTB-WMLDXEAASA-N 0 3 354.406 2.420 10 30 FEEEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000192935749 328347728 /nfs/dbraw/zinc/34/77/28/328347728.db2.gz IDQXPEGTWUFJSG-KRWDZBQOSA-N 0 3 370.478 2.096 10 30 FEEEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 ZINC000116783720 326035170 /nfs/dbraw/zinc/03/51/70/326035170.db2.gz OWYBDOWBEKSART-QGZVFWFLSA-N 0 3 369.421 2.133 10 30 FEEEHN CCC[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N(C)C ZINC000161463598 327000157 /nfs/dbraw/zinc/00/01/57/327000157.db2.gz ZKQZMRJUOGUXBO-OAHLLOKOSA-N 0 3 371.441 2.185 10 30 FEEEHN Cn1cc(CN2CCCN(CCCOc3ccc(C#N)cc3)CC2)cn1 ZINC000170943675 327108992 /nfs/dbraw/zinc/10/89/92/327108992.db2.gz RAJQVCVCWZLHOO-UHFFFAOYSA-N 0 3 353.470 2.269 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181733355 547369506 /nfs/dbraw/zinc/36/95/06/547369506.db2.gz NJDUDNICISJSEW-LSDHHAIUSA-N 0 3 360.458 2.008 10 30 FEEEHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000187855467 548264980 /nfs/dbraw/zinc/26/49/80/548264980.db2.gz BHSSQLFUHNONBF-KRWDZBQOSA-N 0 3 373.497 2.266 10 30 FEEEHN C=C(C)CS(=O)(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000189702195 548307259 /nfs/dbraw/zinc/30/72/59/548307259.db2.gz LXLPHGYCBHOQDZ-LJQANCHMSA-N 0 3 366.527 2.270 10 30 FEEEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000249109360 549553900 /nfs/dbraw/zinc/55/39/00/549553900.db2.gz AKTFYSFESOYKRP-BZUAXINKSA-N 0 3 370.453 2.001 10 30 FEEEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000103476596 543110625 /nfs/dbraw/zinc/11/06/25/543110625.db2.gz LDTVAALNSITMCV-MRXNPFEDSA-N 0 3 352.442 2.378 10 30 FEEEHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)NCCn1cc(C)cn1 ZINC000113443116 543488050 /nfs/dbraw/zinc/48/80/50/543488050.db2.gz GENIGTCOPZUTRQ-MRXNPFEDSA-N 0 3 355.442 2.125 10 30 FEEEHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000054538941 324761730 /nfs/dbraw/zinc/76/17/30/324761730.db2.gz FGDSFFVEIULVLO-INIZCTEOSA-N 0 3 360.458 2.314 10 30 FEEEHN CN(C(=O)Nc1cccc(C#N)c1)C1CCN(CCn2cccn2)CC1 ZINC000109352847 325666049 /nfs/dbraw/zinc/66/60/49/325666049.db2.gz AGLMJZPMKJCXEY-UHFFFAOYSA-N 0 3 352.442 2.383 10 30 FEEEHN C[C@H]1CN(c2nccnc2C#N)CCN1CCN(C)Cc1ccc(F)cc1 ZINC000160135900 546011694 /nfs/dbraw/zinc/01/16/94/546011694.db2.gz CGRBQMJVBSIBRI-INIZCTEOSA-N 0 3 368.460 2.130 10 30 FEEEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000176887622 546501121 /nfs/dbraw/zinc/50/11/21/546501121.db2.gz FQBARAKPVNHAOG-MRXNPFEDSA-N 0 3 372.469 2.227 10 30 FEEEHN CCN1CCC[C@@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000179431931 546952628 /nfs/dbraw/zinc/95/26/28/546952628.db2.gz VSLDRTWMNNXXIJ-LXPRWKDFSA-N 0 3 371.485 2.427 10 30 FEEEHN CCc1nc2n(n1)C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000180175161 547063617 /nfs/dbraw/zinc/06/36/17/547063617.db2.gz WJHVXAMFWOGISG-QGZVFWFLSA-N 0 3 361.453 2.217 10 30 FEEEHN Cc1cc(N2CCC[C@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000182357371 547478945 /nfs/dbraw/zinc/47/89/45/547478945.db2.gz SIXBJJXCGPXUIL-QAPCUYQASA-N 0 3 367.453 2.477 10 30 FEEEHN CCOc1c(Br)cc(Br)cc1C=NNC(=N)N ZINC000036511913 539990418 /nfs/dbraw/zinc/99/04/18/539990418.db2.gz TUBZFZOFXHQTBD-WCSRMQSCSA-N 0 3 364.041 2.427 10 30 FEEEHN CCCCCN[C@]12C=CC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(C)CC[C@]532 ZINC000022463295 220386441 /nfs/dbraw/zinc/38/64/41/220386441.db2.gz NRPCWSUJMWEFOK-KDXIVRHGSA-N 0 3 368.477 2.309 10 30 in-man FEEEHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](n3cncn3)C2)cc1Cl ZINC000106218720 543219715 /nfs/dbraw/zinc/21/97/15/543219715.db2.gz HSVMMIRXIIHGPU-HNNXBMFYSA-N 0 3 358.833 2.469 10 30 FEEEHN COc1ccc(CNC[C@H](O)CN2CCc3ccccc3C2)cc1C#N ZINC000174264228 327316263 /nfs/dbraw/zinc/31/62/63/327316263.db2.gz HMRYZZHHNKLHGD-FQEVSTJZSA-N 0 3 351.450 2.076 10 30 FEEEHN CCn1cnnc1[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000157749916 545779126 /nfs/dbraw/zinc/77/91/26/545779126.db2.gz IKDBSUNAAPTCIX-INIZCTEOSA-N 0 3 355.442 2.437 10 30 FEEEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000174085650 546291676 /nfs/dbraw/zinc/29/16/76/546291676.db2.gz IZKFVKQFVPPLSA-HZPDHXFCSA-N 0 3 366.469 2.080 10 30 FEEEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000176790147 546488594 /nfs/dbraw/zinc/48/85/94/546488594.db2.gz XQSYOKCZBOTHDR-KBPBESRZSA-N 0 3 370.482 2.045 10 30 FEEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000194047418 548427623 /nfs/dbraw/zinc/42/76/23/548427623.db2.gz YQNVQZRQPOJCCQ-AWEZNQCLSA-N 0 3 355.467 2.312 10 30 FEEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000114931437 543545415 /nfs/dbraw/zinc/54/54/15/543545415.db2.gz GISRNBISRRSQRX-IAGOWNOFSA-N 0 3 374.533 2.153 10 30 FEEEHN C=CCCS(=O)(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000125729365 543898012 /nfs/dbraw/zinc/89/80/12/543898012.db2.gz XMXSRLUPYKTBAM-IBGZPJMESA-N 0 3 366.527 2.270 10 30 FEEEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119399647 326158046 /nfs/dbraw/zinc/15/80/46/326158046.db2.gz PUVJRUOSNMFADU-OAHLLOKOSA-N 0 3 362.861 2.387 10 30 FEEEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000121838343 326371090 /nfs/dbraw/zinc/37/10/90/326371090.db2.gz ZPSKJXQHHAEBDX-CQSZACIVSA-N 0 3 350.850 2.243 10 30 FEEEHN CCN1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000171164976 327121707 /nfs/dbraw/zinc/12/17/07/327121707.db2.gz NHJKUMKJQCEHLT-INIZCTEOSA-N 0 3 359.449 2.013 10 30 FEEEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000176887645 546500645 /nfs/dbraw/zinc/50/06/45/546500645.db2.gz FQBARAKPVNHAOG-INIZCTEOSA-N 0 3 372.469 2.227 10 30 FEEEHN COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000184608795 547853352 /nfs/dbraw/zinc/85/33/52/547853352.db2.gz AZIUDPYPRFLFHU-PBHICJAKSA-N 0 3 360.458 2.434 10 30 FEEEHN C=CCn1c(C2CC2)nn(CN2CCN(CCOC)[C@H](CC)C2)c1=S ZINC000117323795 670914614 /nfs/dbraw/zinc/91/46/14/670914614.db2.gz PLVQCULXSPJKQZ-MRXNPFEDSA-N 0 3 365.547 2.478 10 30 FEEEHN C=CCN1CCC(NC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000172029857 672338799 /nfs/dbraw/zinc/33/87/99/672338799.db2.gz QFLIEOQOWKPZDW-CQSZACIVSA-N 0 3 354.495 2.239 10 30 FEEEHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173160943 672348597 /nfs/dbraw/zinc/34/85/97/672348597.db2.gz PTNJRKUTYMWFRK-GDBMZVCRSA-N 0 3 351.491 2.446 10 30 FEEEHN CCN1CCC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000052593371 540476351 /nfs/dbraw/zinc/47/63/51/540476351.db2.gz FYQMCGGGZFMYHX-HXUWFJFHSA-N 0 3 369.513 2.260 10 30 FEEEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000103476406 543110263 /nfs/dbraw/zinc/11/02/63/543110263.db2.gz PGWHBJSVYZMNQC-INIZCTEOSA-N 0 3 352.442 2.378 10 30 FEEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000117046821 543621820 /nfs/dbraw/zinc/62/18/20/543621820.db2.gz GZTOMMIDRVQDAO-GOSISDBHSA-N 0 3 374.533 2.357 10 30 FEEEHN C#CCOc1ccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000119824981 543672594 /nfs/dbraw/zinc/67/25/94/543672594.db2.gz IVMOYMPTZREQEL-UHFFFAOYSA-N 0 3 366.465 2.132 10 30 FEEEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193215798 328363067 /nfs/dbraw/zinc/36/30/67/328363067.db2.gz RJFRTIFMLBUGGT-MRXNPFEDSA-N 0 3 373.501 2.290 10 30 FEEEHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695329 324420314 /nfs/dbraw/zinc/42/03/14/324420314.db2.gz JFTXYBSRAQJGBI-RHSMWYFYSA-N 0 3 374.462 2.052 10 30 FEEEHN COc1cc(C#N)ccc1OCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000053373028 324739476 /nfs/dbraw/zinc/73/94/76/324739476.db2.gz GLIYFQJGUOWAPL-KRWDZBQOSA-N 0 3 353.422 2.365 10 30 FEEEHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](n3cncn3)C1)CCC2 ZINC000171701998 327156040 /nfs/dbraw/zinc/15/60/40/327156040.db2.gz ZNZINQJWFLIVPF-ZDUSSCGKSA-N 0 3 370.482 2.366 10 30 FEEEHN C#CCCCNC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175598941 546317219 /nfs/dbraw/zinc/31/72/19/546317219.db2.gz BLSWHCCVYOLHGU-FQEVSTJZSA-N 0 3 357.498 2.487 10 30 FEEEHN C[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000183162062 547613518 /nfs/dbraw/zinc/61/35/18/547613518.db2.gz BYDDKFNBLVTZTL-CJNGLKHVSA-N 0 3 354.372 2.330 10 30 FEEEHN Cn1cc(CN2CCC[C@H](Cn3cncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000183257833 547627762 /nfs/dbraw/zinc/62/77/62/547627762.db2.gz RWDLJCQNOMVUIR-KRWDZBQOSA-N 0 3 361.453 2.462 10 30 FEEEHN